N-[2-(azepan-1-yl)ethyl]-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1080 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 438.05 |
| Molecular Formula: | C21 H28 Cl N3 O S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(N(CCN1CCCCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3956 |
| logD: | 2.5786 |
| logSw: | -5.9605 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.3686 |
| InChI Key: | KEGIPDJALDWISB-UHFFFAOYSA-N |