ethyl 4-(4-chlorophenyl)-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-(4-chlorophenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-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: | V020-3342 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 579.02 |
| Molecular Formula: | C28 H30 Cl F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccc(cc1)C(F)(F)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3322 |
| logD: | 3.818 |
| logSw: | -4.7172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.197 |
| InChI Key: | KVKMEFUIWZRXNS-UHFFFAOYSA-N |