2-cyano-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}-N-(2-phenylethyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}-N-(2-phenylethyl)prop-2-enamide
2-cyano-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}-N-(2-phenylethyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0176 |
| Compound Name: | 2-cyano-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}-N-(2-phenylethyl)prop-2-enamide |
| Molecular Weight: | 472.67 |
| Molecular Formula: | C28 H28 N2 O S2 |
| Smiles: | Cc1ccccc1CSC(=C(C#N)C(NCCc1ccccc1)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.2598 |
| logD: | 7.2596 |
| logSw: | -5.6839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.278 |
| InChI Key: | GCIBGFBHMRAARB-UHFFFAOYSA-N |