N-[2-(azepan-1-yl)ethyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0078 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(4-chlorophenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 391.96 |
| Molecular Formula: | C20 H26 Cl N3 O S |
| Smiles: | C1CCCN(CC1)CCN(Cc1ccco1)C(Nc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.055 |
| logD: | 2.23 |
| logSw: | -5.1408 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | UOCACSAALYKQER-UHFFFAOYSA-N |