5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | L586-1064 |
| Compound Name: | 5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide |
| Molecular Weight: | 453.02 |
| Molecular Formula: | C21 H25 Cl N2 O3 S2 |
| Smiles: | CSc1ccc(CNC(c2cc(ccc2[Cl])S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.074 |
| logD: | 5.0732 |
| logSw: | -5.2313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.694 |
| InChI Key: | JTRCPTWNEILATC-UHFFFAOYSA-N |