3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0010 |
| Compound Name: | 3,3-bis{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide |
| Molecular Weight: | 577.55 |
| Molecular Formula: | C30 H22 Cl2 N2 O2 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])SC(=C(C#N)C(Nc1ccc(cc1)Oc1ccccc1)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.3495 |
| logD: | 8.328 |
| logSw: | -6.7085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.862 |
| InChI Key: | DIMMFIZJGCMQLG-UHFFFAOYSA-N |