2-cyano-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0080 |
| Compound Name: | 2-cyano-3-(4-ethoxyanilino)-N-[(furan-2-yl)methyl]-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)N/C(=C(/C#N)C(NCc1ccco1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0313 |
| logD: | 5.023 |
| logSw: | -4.6454 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.654 |
| InChI Key: | NUKBQDZPFQOTFF-UHFFFAOYSA-N |