N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-methoxyphenyl)thiourea
Chemical Structure Depiction of
N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-methoxyphenyl)thiourea
N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-methoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-0393 |
| Compound Name: | N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-(3-methoxyphenyl)thiourea |
| Molecular Weight: | 516.72 |
| Molecular Formula: | C26 H36 N4 O3 S2 |
| Smiles: | COc1cccc(c1)NC(Nc1cc(ccc1N1CCCCCC1)S(N1CCCCCC1)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.2243 |
| logD: | 6.2219 |
| logSw: | -5.5222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.431 |
| InChI Key: | OBPNDULDAQKMIH-UHFFFAOYSA-N |