N-[2-(azepan-1-yl)ethyl]-N'-(4-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-(4-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N'-(4-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0417 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-(4-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 401.64 |
| Molecular Formula: | C22 H31 N3 S2 |
| Smiles: | CCc1ccc(cc1)NC(N(CCN1CCCCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8156 |
| logD: | 2.9987 |
| logSw: | -5.4412 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.7382 |
| InChI Key: | RYBMRHGNWGOUBT-UHFFFAOYSA-N |