N-[2-(azepan-1-yl)ethyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0264 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 403.61 |
| Molecular Formula: | C21 H29 N3 O S2 |
| Smiles: | COc1cccc(c1)NC(N(CCN1CCCCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9514 |
| logD: | 2.1345 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.282 |
| InChI Key: | CFZYCMKAWUMFIJ-UHFFFAOYSA-N |