2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
Chemical Structure Depiction of
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
Compound characteristics
Compound ID: | C226-4480 |
Compound Name: | 2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine |
Molecular Weight: | 409.32 |
Molecular Formula: | C17 H14 F3 N5 O4 |
Smiles: | CCOc1c(cn(c2nc(cc(C(F)(F)F)n2)c2ccc(cc2)OC)n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.7362 |
logD: | 4.7362 |
logSw: | -4.5347 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.104 |
InChI Key: | TYRVKBXCBLAVJI-UHFFFAOYSA-N |