N-[(4-methylphenyl)methyl]-N-[(pyridin-3-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-[(pyridin-3-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
N-[(4-methylphenyl)methyl]-N-[(pyridin-3-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C087-1216 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-[(pyridin-3-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 415.48 |
| Molecular Formula: | C22 H20 F3 N3 S |
| Smiles: | Cc1ccc(CN(Cc2cccnc2)C(Nc2cccc(c2)C(F)(F)F)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2567 |
| logD: | 5.2561 |
| logSw: | -5.0686 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9457 |
| InChI Key: | ROPUIRGLKHGBPO-UHFFFAOYSA-N |