3,3-bis(benzylsulfanyl)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3,3-bis(benzylsulfanyl)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
3,3-bis(benzylsulfanyl)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | K291-0172 |
| Compound Name: | 3,3-bis(benzylsulfanyl)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide |
| Molecular Weight: | 465.03 |
| Molecular Formula: | C25 H21 Cl N2 O S2 |
| Smiles: | C(c1ccccc1[Cl])NC(C(C#N)=C(SCc1ccccc1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9529 |
| logD: | 5.9478 |
| logSw: | -6.0747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.436 |
| InChI Key: | ZANYCIJPDAZHOF-UHFFFAOYSA-N |