ethyl 4-(3,5-dimethoxyphenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,5-dimethoxyphenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,5-dimethoxyphenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V027-7500 |
| Compound Name: | ethyl 4-(3,5-dimethoxyphenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 604.63 |
| Molecular Formula: | C30 H35 F3 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cc(cc(c2)OC)OC)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccc(cc1)C(F)(F)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7807 |
| logD: | 3.2665 |
| logSw: | -4.0513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.285 |
| InChI Key: | IVGAFMNLKCKSCM-UHFFFAOYSA-N |