AC1LK9D3
methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Also Known As: AK-968/40708084|methyl 2-({4-chloro-2-nitrobenzoyl}amino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate|methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate|METHYL 2-(4-CHLORO-2-NITROBENZAMIDO)-4-(3,4-DIMETHOXYPHENYL)THIOPHENE-3-CARBOXYLATE|methyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate|methyl 4-(3,4-dimethoxyphenyl)-2-[(4-chloro-2-nitrophenyl)carbonylamino]thioph ene-3-carboxylate
| Molecular Formula | C21H17ClN2O7S |
|---|---|
| Molecular Weight | 476.0445 g/mol |
| LogP | 5.0328 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.0445 |
| Monoisotopic Mass | 476.0445 |
| Heavy Atoms | 32 |
| Complexity | 1208.854 |
Chemical Identifiers
| CAS Number | 445005-37-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC |
Product Overview
AC1LK9D3 (CAS 445005-37-8), with molecular formula C21H17ClN2O7S and molecular weight 476.0445 g/mol. IUPAC: methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.