2-cyano-3-(4-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(4-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(4-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0106 |
| Compound Name: | 2-cyano-3-(4-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)N/C(=C(/C#N)C(N)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3171 |
| logD: | 3.3127 |
| logSw: | -3.6751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.55 |
| InChI Key: | MEZXBUQUGPNDHP-UHFFFAOYSA-N |