methyl 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
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 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: | 8020-4597 |
| Compound Name: | methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 408.38 |
| Molecular Formula: | C19 H19 F3 N4 O3 |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(Cn2ccc(C(F)(F)F)n2)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7956 |
| logD: | 2.5371 |
| logSw: | -3.0523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.861 |
| InChI Key: | SKWOMJSSELJLJR-MRXNPFEDSA-N |