N-{5-(azepane-1-carbonyl)-2-[(4-chlorophenyl)sulfanyl]phenyl}acetamide
Chemical Structure Depiction of
N-{5-(azepane-1-carbonyl)-2-[(4-chlorophenyl)sulfanyl]phenyl}acetamide
N-{5-(azepane-1-carbonyl)-2-[(4-chlorophenyl)sulfanyl]phenyl}acetamide
Compound characteristics
| Compound ID: | K786-3213 |
| Compound Name: | N-{5-(azepane-1-carbonyl)-2-[(4-chlorophenyl)sulfanyl]phenyl}acetamide |
| Molecular Weight: | 402.94 |
| Molecular Formula: | C21 H23 Cl N2 O2 S |
| Smiles: | CC(Nc1cc(ccc1Sc1ccc(cc1)[Cl])C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4227 |
| logD: | 4.4227 |
| logSw: | -4.5665 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.51 |
| InChI Key: | ATCRDFXCXCIBJW-UHFFFAOYSA-N |