2-cyano-N-(3-methylphenyl)-3,3-bis{[(4-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(3-methylphenyl)-3,3-bis{[(4-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-(3-methylphenyl)-3,3-bis{[(4-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0230 |
| Compound Name: | 2-cyano-N-(3-methylphenyl)-3,3-bis{[(4-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 458.64 |
| Molecular Formula: | C27 H26 N2 O S2 |
| Smiles: | Cc1ccc(CSC(=C(C#N)C(Nc2cccc(C)c2)=O)SCc2ccc(C)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6767 |
| logD: | 6.6663 |
| logSw: | -5.517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | NAPGOXFZEOVQBX-UHFFFAOYSA-N |