ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7487-0112 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C20 H21 F3 N4 O3 |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1Cn1ccc(C(F)(F)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2362 |
| logD: | 2.9776 |
| logSw: | -3.1333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.441 |
| InChI Key: | YHWGBCTXZOQPJR-QGZVFWFLSA-N |