AC1LKMHE
methyl 4-(4-methoxyphenyl)-5-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_687174|AK-968/40709869|methyl 2-({3-nitrobenzoyl}amino)-4-(4-methoxyphenyl)-5-methylthiophene-3-carboxylate|methyl 4-(4-methoxyphenyl)-5-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate|METHYL 4-(4-METHOXYPHENYL)-5-METHYL-2-(3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE|methyl 4-(4-methoxyphenyl)-5-methyl-2-[(3-nitrophenyl)carbonylamino]thiophene- 3-carboxylate|methyl 4-(4-methoxyphenyl)-5-methyl-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H18N2O6S |
|---|---|
| Molecular Weight | 426.08856 g/mol |
| LogP | 4.67922 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.08856 |
| Monoisotopic Mass | 426.08856 |
| Heavy Atoms | 30 |
| Complexity | 1121.0253 |
Chemical Identifiers
| CAS Number | 445013-77-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)OC |
Product Overview
AC1LKMHE (CAS 445013-77-4), with molecular formula C21H18N2O6S and molecular weight 426.08856 g/mol. IUPAC: methyl 4-(4-methoxyphenyl)-5-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate.