5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide
5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | L586-1069 |
| Compound Name: | 5-(azepane-1-sulfonyl)-2-chloro-N-{[4-(dimethylamino)phenyl]methyl}benzamide |
| Molecular Weight: | 450 |
| Molecular Formula: | C22 H28 Cl N3 O3 S |
| Smiles: | CN(C)c1ccc(CNC(c2cc(ccc2[Cl])S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4448 |
| logD: | 4.4292 |
| logSw: | -4.6473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.499 |
| InChI Key: | QHJJBMRNXQEHCQ-UHFFFAOYSA-N |