AC1LWT0V
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: Oprea1_563656|AK-968/40709185|methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate|methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate|METHYL 4-(3,4-DIMETHYLPHENYL)-2-(3,5-DINITROBENZAMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE|methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]-5-methylthi ophene-3-carboxylate|methyl 4-(3,4-dimethylphenyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C22H19N3O7S |
|---|---|
| Molecular Weight | 469.09436 g/mol |
| LogP | 5.19566 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.09436 |
| Monoisotopic Mass | 469.09436 |
| Heavy Atoms | 33 |
| Complexity | 1281.3086 |
Chemical Identifiers
| CAS Number | 445008-24-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C)C |
Product Overview
AC1LWT0V (CAS 445008-24-2), with molecular formula C22H19N3O7S and molecular weight 469.09436 g/mol. IUPAC: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate.