methyl 4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoate
methyl 4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 3379-2175 |
| Compound Name: | methyl 4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoate |
| Molecular Weight: | 435.39 |
| Molecular Formula: | C22 H17 N3 O7 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C\c1ccc(cc1)[N+]([O-])=O)NC(c1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5642 |
| logD: | 3.5181 |
| logSw: | -3.8328 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.388 |
| InChI Key: | VBFVWKAMJRBJFF-UHFFFAOYSA-N |