methyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4500 |
| Compound Name: | methyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 440.38 |
| Molecular Formula: | C19 H19 F3 N4 O5 |
| Smiles: | COC(C1C(c2ccc(c(c2)OC)OC)NC(NC=1Cn1ccc(C(F)(F)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.511 |
| logD: | 1.2525 |
| logSw: | -2.1612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.122 |
| InChI Key: | AXBVQMHZURIHOA-MRXNPFEDSA-N |