3,3-bis(benzylsulfanyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3,3-bis(benzylsulfanyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
3,3-bis(benzylsulfanyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | K291-0165 |
| Compound Name: | 3,3-bis(benzylsulfanyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 451.01 |
| Molecular Formula: | C24 H19 Cl N2 O S2 |
| Smiles: | C(c1ccccc1)SC(=C(C#N)C(Nc1ccc(cc1)[Cl])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0647 |
| logD: | 5.5472 |
| logSw: | -6.2384 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | XBVRMMLHOFCQLI-UHFFFAOYSA-N |