N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1233 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 452.08 |
| Molecular Formula: | C22 H30 Cl N3 O S2 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(N(CCN1CCCCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.1796 |
| logD: | 3.3626 |
| logSw: | -6.164 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.6708 |
| InChI Key: | JZTIIRHGHHZGME-UHFFFAOYSA-N |