3-anilino-2-cyano-N-(2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
3-anilino-2-cyano-N-(2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
3-anilino-2-cyano-N-(2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0062 |
| Compound Name: | 3-anilino-2-cyano-N-(2-methylphenyl)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)C(Nc1ccccc1C)=O)\Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9501 |
| logD: | 5.9488 |
| logSw: | -5.5127 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.38 |
| InChI Key: | SYKFVHBUWYUMEK-UHFFFAOYSA-N |