N-[3-(azepan-1-yl)propyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
N-[3-(azepan-1-yl)propyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0331 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 420.02 |
| Molecular Formula: | C22 H30 Cl N3 O S |
| Smiles: | Cc1cc(ccc1[Cl])NC(N(CCCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.9648 |
| logD: | 3.928 |
| logSw: | -6.1472 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | ZHHSSXHZSNYSHF-UHFFFAOYSA-N |