3,3-bis{[(3-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(3-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-methylphenyl)prop-2-enamide
3,3-bis{[(3-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0003 |
| Compound Name: | 3,3-bis{[(3-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-methylphenyl)prop-2-enamide |
| Molecular Weight: | 499.48 |
| Molecular Formula: | C25 H20 Cl2 N2 O S2 |
| Smiles: | Cc1ccc(cc1)NC(C(C#N)=C(SCc1cccc(c1)[Cl])SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.7593 |
| logD: | 7.7388 |
| logSw: | -6.3489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | SGOZCJJLHXUSNF-UHFFFAOYSA-N |