AG003A2W

380899-24-1 | N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-4-benzofurancarboxamide

AG003A2W

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CAS Number	380899-24-1
Catalog Number	AG003A2W(AGN-PC-0RFIZM)
Chemical Name	N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-4-benzofurancarboxamide
IUPAC Name	N-[[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
InChI	InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
InChI Key	ZJXIUGNEAIHSBI-IBGZPJMESA-N
MDL Number	MFCD18251524
Molecular Formula	C26H24FN3O3S
Molecular Weight	477.5505
SMILES	FC1=CC=C(C=C1)C1=C(N=C(S1)C)C(=O)N1[C@@H](CCCC1)CNC(=O)C=1C=CC=C2C1C=CO2
UNII	1L1V1K2M4V
Synonyms	(14C)SB 649868, (14C)SB-649868, (14C)SB649868, N-((1-((5-(4-fluorophenyl)-2-methyl-4-thiazolyl)carbonyl)-2-piperidinyl)methyl)-4-benzofurancarboxamide, SB 649868, SB-649868, SB649868, SB-649868, 380899-24-1, UNII-1L1V1K2M4V, SB 649868, 1L1V1K2M4V, GSK649868, SB649868, GTPL4461, N-[[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide, SCHEMBL8045969, CHEMBL1272307, DTXSID90191491, EX-A2570, BDBM50417257, CS-7584, GSK-649868, SB19110, HY-10806, SB-649,868, SB649868; GSK649868, (S)-N-((1-(5-(4-Fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide, 4-Benzofurancarboxamide, N-(((2S)-1-((5-(4-fluorophenyl)-2-methyl-4-thiazolyl)carbonyl)-2-piperidinyl)methyl)-, N-((1-((5-(4-Fluorophenyl)-2-methyl-4-thiazolyl)carbonyl)-2-piperidinyl)methyl)-4-benzofurancarboxamide, N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-4-benzofurancarboxamide, D06CKX, ZJXIUGNEAIHSBI-IBGZPJMESA-N, A12651, 110-17-8,

Complexity	734
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	477.152g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	477.554g/mol
Monoisotopic Mass	477.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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