N-[3-(azepan-1-yl)propyl]-N'-(2-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-(2-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-[3-(azepan-1-yl)propyl]-N'-(2-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0874 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-(2-ethylphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 415.66 |
| Molecular Formula: | C23 H33 N3 S2 |
| Smiles: | CCc1ccccc1NC(N(CCCN1CCCCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0023 |
| logD: | 3.9655 |
| logSw: | -5.5787 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.0404 |
| InChI Key: | XDGORLNVUCCWAW-UHFFFAOYSA-N |