2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0086 |
| Compound Name: | 2-cyano-3-(2-methylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C19 H19 N3 O S |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)C(N)=O)\Nc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9403 |
| logD: | 3.9368 |
| logSw: | -4.0261 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.347 |
| InChI Key: | HYNWODXYFZKHDZ-UHFFFAOYSA-N |