N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-chloro-2-methylphenyl)thiourea
Chemical Structure Depiction of
N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-chloro-2-methylphenyl)thiourea
N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-chloro-2-methylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-0392 |
| Compound Name: | N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-chloro-2-methylphenyl)thiourea |
| Molecular Weight: | 535.17 |
| Molecular Formula: | C26 H35 Cl N4 O2 S2 |
| Smiles: | Cc1c(cccc1[Cl])NC(Nc1cc(ccc1N1CCCCCC1)S(N1CCCCCC1)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 7.2065 |
| logD: | 7.1704 |
| logSw: | -6.5381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.19 |
| InChI Key: | VEGDJGACKYOUIP-UHFFFAOYSA-N |