2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
Chemical Structure Depiction of
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
Compound characteristics
| Compound ID: | C226-4523 |
| Compound Name: | 2-(3-ethoxy-4-nitro-1H-pyrazol-1-yl)-4-(3-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)c2cccc(c2)OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6923 |
| logD: | 4.6911 |
| logSw: | -4.5014 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.104 |
| InChI Key: | MCXJDXRONVVWPE-UHFFFAOYSA-N |