AC1LK9N6
methyl 5-methyl-4-(4-methylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_511479|AK-968/40708534|methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate|methyl 5-methyl-4-(4-methylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate|methyl 5-methyl-2-(3-nitrobenzamido)-4-(p-tolyl)thiophene-3-carboxylate|METHYL 5-METHYL-4-(4-METHYLPHENYL)-2-[(3-NITROBENZOYL)AMINO]-3-THIOPHENECARBOXYLATE|methyl 5-methyl-4-(4-methylphenyl)-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09363 g/mol |
| LogP | 4.97904 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.09363 |
| Monoisotopic Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1102.7593 |
Chemical Identifiers
| CAS Number | 445006-49-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
AC1LK9N6 (CAS 445006-49-5), with molecular formula C21H18N2O5S and molecular weight 410.09363 g/mol. IUPAC: methyl 5-methyl-4-(4-methylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate.
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