AG0062LS

934628-27-0 | 1-(3-Amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone

AG0062LS

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CAS Number	934628-27-0
Catalog Number	AG0062LS(AGN-PC-00HC63)
Chemical Name	1-(3-Amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone
IUPAC Name	1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one
InChI	InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
InChI Key	YCLREGRRHGLOAK-UHFFFAOYSA-N
MDL Number	MFCD09991584
Molecular Formula	C19H20N2O2S
Molecular Weight	340.4393
SMILES	O=C1C=C(OCCC2=CC=CS2)C=CN1CC3=CC=CC(N)=C3C
UNII	4X6T64D64X
Synonyms	CG 400549, CG-400549, CG400549, 934628-27-0, 1-(3-amino-2-methylbenzyl)-4-(2-(thiophen-2-yl)ethoxy)pyridin-2(1H)-one, 1-(3-Amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone, CG-400549, UNII-4X6T64D64X, CG400549, CG 400549, 4X6T64D64X, Q-102482, 1-(3-Amino-2-Methylbenzyl)-4-[2-(Thiophen-2-Yl)ethoxy]pyridin-2(1h)-One, 1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one, 2(1H)-Pyridinone, 1-((3-amino-2-methylphenyl)methyl)-4-(2-(2-thienyl)ethoxy)-, 2(1h)-pyridinone, 1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]-, PT6, CHEMBL488937, SCHEMBL2177308, CTK5H2552, DTXSID00239434, BDBM231620, BCP15467, 1-(3-Amino-2-methylbenzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone, 5856AC, ANW-60409, MFCD09991584, ZINC16696900, AKOS015842354, CA-1900, DB12347, AJ-69191, AK101176, AS-35976, SC-23615, AB0073995, AX8232715, CG-400459, DB-012662, TC-061317, FT-0699236, A-2296, 1-(3-Amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-eth, 1-(3-Amino-2-methylbenzyl)-4-(2-thiophen-2-ylmethoxy)-2-pyridone, 2(1H)-Pyridinone,1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]-, D05PIX, C19H20N2O2S, YCLREGRRHGLOAK-UHFFFAOYSA-N, 1- -4- -2-PYRIDONE, ACN-037866, CID11844916, CG-400329, CG-400462, CG-400587, A11009, FabI inhibitors (antibacterial), CrystalGenomics, Bacterial enoyl-ACP reductase inhibitors, CrystalGenomics, FabK inhibitors (bacterial infections, oral), CrystalGenomics, 1-[(3-amino-2-methyl-phenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one,

Complexity	506
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.125g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	340.441g/mol
Monoisotopic Mass	340.125g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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