methyl 4-{3-(3-nitrophenyl)-2-[(thiophene-2-carbonyl)amino]prop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-(3-nitrophenyl)-2-[(thiophene-2-carbonyl)amino]prop-2-enamido}benzoate
methyl 4-{3-(3-nitrophenyl)-2-[(thiophene-2-carbonyl)amino]prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 2681-3687 |
| Compound Name: | methyl 4-{3-(3-nitrophenyl)-2-[(thiophene-2-carbonyl)amino]prop-2-enamido}benzoate |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0869 |
| logD: | 4.0559 |
| logSw: | -4.3945 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.828 |
| InChI Key: | ZNWRCNSSDDBHAB-UHFFFAOYSA-N |