2-cyano-N-(2,5-dimethylphenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(2,5-dimethylphenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-(2,5-dimethylphenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0225 |
| Compound Name: | 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 472.67 |
| Molecular Formula: | C28 H28 N2 O S2 |
| Smiles: | Cc1ccc(C)c(c1)NC(C(C#N)=C(SCc1ccccc1C)SCc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8648 |
| logD: | 7.847 |
| logSw: | -5.5383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.417 |
| InChI Key: | MAPLFRFPMSUTMW-UHFFFAOYSA-N |