1-{[1-(3-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}azepane
Chemical Structure Depiction of
1-{[1-(3-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}azepane
1-{[1-(3-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}azepane
Compound characteristics
| Compound ID: | M857-0056 |
| Compound Name: | 1-{[1-(3-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]methyl}azepane |
| Molecular Weight: | 384.97 |
| Molecular Formula: | C19 H29 Cl N2 O2 S |
| Smiles: | Cc1c(cccc1[Cl])S(N1CCC(CC1)CN1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4382 |
| logD: | 1.5257 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.013 |
| InChI Key: | UASGHRQHNOSVJR-UHFFFAOYSA-N |