4-(azepane-1-sulfonyl)-N-{2-[(2-cyanoethyl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-{2-[(2-cyanoethyl)sulfanyl]phenyl}benzamide
4-(azepane-1-sulfonyl)-N-{2-[(2-cyanoethyl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | 3341-1575 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-{2-[(2-cyanoethyl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)C(Nc1ccccc1SCCC#N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4199 |
| logD: | 3.4195 |
| logSw: | -3.8009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.166 |
| InChI Key: | XTLMWKBRDMYFHH-UHFFFAOYSA-N |