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 |