N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0016 |
| Compound Name: | N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3457 |
| logD: | 5.2523 |
| logSw: | -5.2743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.294 |
| InChI Key: | PCYJQRGHKFEGJQ-UHFFFAOYSA-N |