3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide
3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0012 |
| Compound Name: | 3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-[(2-methoxyphenyl)methyl]prop-2-enamide |
| Molecular Weight: | 529.51 |
| Molecular Formula: | C26 H22 Cl2 N2 O2 S2 |
| Smiles: | COc1ccccc1CNC(C(C#N)=C(SCc1ccc(cc1)[Cl])SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5816 |
| logD: | 6.5765 |
| logSw: | -6.2984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | GYMLXNCONPJGON-UHFFFAOYSA-N |