N-[3-(azepan-1-yl)propyl]-N'-(3-chloro-2-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-(3-chloro-2-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
N-[3-(azepan-1-yl)propyl]-N'-(3-chloro-2-methylphenyl)-N-[(furan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0586 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-(3-chloro-2-methylphenyl)-N-[(furan-2-yl)methyl]thiourea |
| Molecular Weight: | 420.02 |
| Molecular Formula: | C22 H30 Cl N3 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(N(CCCN1CCCCCC1)Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8854 |
| logD: | 3.8487 |
| logSw: | -6.0035 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.7708 |
| InChI Key: | UXOLSTMDPKKULU-UHFFFAOYSA-N |