N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0333 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-3-methylphenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 405.99 |
| Molecular Formula: | C21 H28 Cl N3 O S |
| Smiles: | Cc1cc(ccc1[Cl])NC(N(CCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6907 |
| logD: | 2.8657 |
| logSw: | -5.9599 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | PPXURUPOADRTOP-UHFFFAOYSA-N |