methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,4-triazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,4-triazole-3-carboxylate
methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,4-triazole-3-carboxylate
Compound characteristics
| Compound ID: | C226-4540 |
| Compound Name: | methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,4-triazole-3-carboxylate |
| Molecular Weight: | 394.31 |
| Molecular Formula: | C16 H13 F3 N6 O3 |
| Smiles: | COC(c1nc(N)n(c2nc(cc(C(F)(F)F)n2)c2cccc(c2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1093 |
| logD: | 3.1091 |
| logSw: | -3.3059 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.867 |
| InChI Key: | KOIPFJKWUJHQAG-UHFFFAOYSA-N |