N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C087-1222 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(pyridin-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H24 F3 N3 O2 S |
| Smiles: | COc1ccc(CCN(Cc2ccccn2)C(Nc2cccc(c2)C(F)(F)F)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.9225 |
| logD: | 4.9225 |
| logSw: | -4.6273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.21 |
| InChI Key: | KAGZPXGCKBXBSL-UHFFFAOYSA-N |