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
| 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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