N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0705 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C17 H18 F3 N3 O3 S |
| Smiles: | COc1ccc(CCNC(c2cnc(nc2C(F)(F)F)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5882 |
| logD: | 2.5837 |
| logSw: | -3.0118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.34 |
| InChI Key: | LFGQXIBAWBTKMK-UHFFFAOYSA-N |