3-acetamido-4-[(4-chlorophenyl)sulfanyl]-N-(2-cyanoethyl)-N-methylbenzamide
Chemical Structure Depiction of
3-acetamido-4-[(4-chlorophenyl)sulfanyl]-N-(2-cyanoethyl)-N-methylbenzamide
3-acetamido-4-[(4-chlorophenyl)sulfanyl]-N-(2-cyanoethyl)-N-methylbenzamide
Compound characteristics
| Compound ID: | K786-2920 |
| Compound Name: | 3-acetamido-4-[(4-chlorophenyl)sulfanyl]-N-(2-cyanoethyl)-N-methylbenzamide |
| Molecular Weight: | 387.89 |
| Molecular Formula: | C19 H18 Cl N3 O2 S |
| Smiles: | CC(Nc1cc(ccc1Sc1ccc(cc1)[Cl])C(N(C)CCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6059 |
| logD: | 2.6059 |
| logSw: | -3.636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.423 |
| InChI Key: | JWLWWCCSXWZSJC-UHFFFAOYSA-N |