Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate
propyl 2-[(3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: AK-968/40708604|propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate|propyl 2-[(3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate|PROPYL 2-(3,5-DINITROBENZAMIDO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE|propyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-phenylthiophene-3-carboxylate|propyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
CAS: 445006-71-3
| Molecular Formula | C21H17N3O7S |
|---|---|
| Molecular Weight | 455.07874 g/mol |
| LogP | 5.0506 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.07874 |
| Monoisotopic Mass | 455.07874 |
| Heavy Atoms | 32 |
| Complexity | 1159.1089 |
Chemical Identifiers
| CAS Number | 445006-71-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Propyl 2-({3,5-bisnitrobenzoyl}amino)-4-phenylthiophene-3-carboxylate (CAS 445006-71-3), with molecular formula C21H17N3O7S and molecular weight 455.07874 g/mol. IUPAC: propyl 2-[(3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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