N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-[3-(methylsulfanyl)phenyl]thiourea
Chemical Structure Depiction of
N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-[3-(methylsulfanyl)phenyl]thiourea
N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-[3-(methylsulfanyl)phenyl]thiourea
Compound characteristics
| Compound ID: | K788-0173 |
| Compound Name: | N-[5-(azepane-1-sulfonyl)-2-(azepan-1-yl)phenyl]-N'-[3-(methylsulfanyl)phenyl]thiourea |
| Molecular Weight: | 532.79 |
| Molecular Formula: | C26 H36 N4 O2 S3 |
| Smiles: | CSc1cccc(c1)NC(Nc1cc(ccc1N1CCCCCC1)S(N1CCCCCC1)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.6188 |
| logD: | 6.6161 |
| logSw: | -5.6963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.888 |
| InChI Key: | WUMZCVZMYKVTSE-UHFFFAOYSA-N |