2-cyano-3-(3,4-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-3-(3,4-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0111 |
| Compound Name: | 2-cyano-3-(3,4-dimethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Smiles: | Cc1ccc(cc1C)N/C(=C(/C#N)C(N)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.8735 |
| logD: | 4.8717 |
| logSw: | -4.6801 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.045 |
| InChI Key: | CMDFOUHOFQDWRJ-UHFFFAOYSA-N |