N-{2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl}-2,2-dimethylpropanamide
N-{2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl}-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | Y070-1453 |
| Compound Name: | N-{2,2-bis[(4-chlorophenyl)sulfanyl]-1-cyanoethenyl}-2,2-dimethylpropanamide |
| Molecular Weight: | 437.41 |
| Molecular Formula: | C20 H18 Cl2 N2 O S2 |
| Smiles: | CC(C)(C)C(NC(C#N)=C(Sc1ccc(cc1)[Cl])Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7499 |
| logD: | 6.7499 |
| logSw: | -6.455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.89 |
| InChI Key: | KBFNZZHZOSNXOP-UHFFFAOYSA-N |