AG00G3QS

802904-66-1 | 7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate

AG00G3QS

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CAS Number	802904-66-1
Catalog Number	AG00G3QS(AGN-PC-0UGS3U)
Chemical Name	7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate
IUPAC Name	2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
InChI	InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)
InChI Key	JWYIGNODXSRKGP-UHFFFAOYSA-N
MDL Number	MFCD26936340
Molecular Formula	C19H17ClN2O3S
Molecular Weight	388.8679
SMILES	C(C)(=O)NC1=C2C(=C(N(C2=CC=C1)CC(=O)O)C)SC1=CC=C(C=C1)Cl
UNII	2AD53WQ2CX
Synonyms	AZD1981, AZD1981, 802904-66-1, AZD-1981, UNII-2AD53WQ2CX, AZD 1981, 2AD53WQ2CX, CHEMBL1914489, 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid, 1H-Indole-1-acetic acid, 4-(acetylamino)-3-((4-chlorophenyl)thio)-2-methyl-, 2-(4-Acetamido-3-((4-chlorophenyl)thio)-2-methyl-1H-indol-1-yl)acetic acid, 1H-Indole-1-acetic acid, 4-(acetylamino)-3-[(4-chlorophenyl)thio]-2-methyl-, JWYIGNODXSRKGP-UHFFFAOYSA-N, GTPL7680, SCHEMBL1053662, EX-A662, HMS3653A06, BCP20957, BDBM50357102, MFCD26936340, s7263, ZINC73196066, AKOS027263775, CS-4189, DB11946, SB16902, NCGC00386290-04, AK222659, HY-15950, SC-94603, FT-0700366, SW219735-1, Z6201, J-690352, 2-(4-acetamido-3-(4-chlorophenylthio)-2-methyl-1H-indol-1-yl)acetic acid, [4-acetylamino-3-(4-chlorophenylsulfanyl)-2-methyl-1H-indol-1-yl]acetic acid, 2-{3-[(4-chlorophenyl)sulfanyl]-4-acetamido-2-methyl-1H-indol-1-yl}acetic acid, 7-Methyl-5-[(3-piperazin-1-ylMethyl)-1,2,4-oxadiazol-5-yl-]-2-[4-(trifluoroMethoxy)benzyl]-2,3-dihydro-1H-isoindol-1-one Methanesulphonate, N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazo le-5(1H)-carboxamide, D0T4SG, C19H17ClN2O3S, CID11292191, B1534, A13186, 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]acetic Acid,

Complexity	527
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	388.065g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	388.866g/mol
Monoisotopic Mass	388.065g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	96.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

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