ethyl 4-(3-nitrophenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-nitrophenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-nitrophenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7967 |
| Compound Name: | ethyl 4-(3-nitrophenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 439.35 |
| Molecular Formula: | C18 H16 F3 N5 O5 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1Cn1ccc(C(F)(F)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1613 |
| logD: | 1.9028 |
| logSw: | -2.9704 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.822 |
| InChI Key: | FVFNYRGDRCMRIT-OAHLLOKOSA-N |