N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1251 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 436.02 |
| Molecular Formula: | C22 H30 Cl N3 O2 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(N(CCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.7549 |
| logD: | 2.9299 |
| logSw: | -5.9629 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.4012 |
| InChI Key: | IZZPQSUMEZHOTB-UHFFFAOYSA-N |