AC1MJ5BB structure

AC1MJ5BB

4-[[3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid

Also Known As: Oprea1_341011|Oprea1_827987|BAS 01426067|AG-667/37281067|4-({3-[(4-methoxyanilino)carbonyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl}amino)-4-oxobutanoic acid|SR-01000439747-1|4-({3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid|4-[[3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid|3-({3-[(4-METHOXYPHENYL)CARBAMOYL]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL}CARBAMOYL)PROPANOIC ACID|3-(N-{3-[N-(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydrobenzo[b]thio phen-2-yl}carbamoyl)propanoic acid

CAS: 312948-91-7
Molecular Formula C21H24N2O5S
Molecular Weight 416.1406 g/mol
LogP 3.9371
Topological Polar Surface Area 104.73 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 416.1406
Monoisotopic Mass 416.1406
Heavy Atoms 29
Complexity 919.8978

Chemical Identifiers

CAS Number 312948-91-7
SMILES CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)OC)NC(=O)CCC(=O)O

Product Overview

AC1MJ5BB (CAS 312948-91-7), with molecular formula C21H24N2O5S and molecular weight 416.1406 g/mol. IUPAC: 4-[[3-[(4-methoxyphenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid.

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