2-cyano-3-(2-methylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(2-methylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(2-methylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0088 |
| Compound Name: | 2-cyano-3-(2-methylanilino)-3-{[(3-nitrophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | Cc1ccccc1N/C(=C(/C#N)C(N)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0024 |
| logD: | 2.9988 |
| logSw: | -3.3596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.729 |
| InChI Key: | HKRWDOQEUVFQOB-UHFFFAOYSA-N |