ethyl 1-ethyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V027-5452 |
| Compound Name: | ethyl 1-ethyl-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 539.6 |
| Molecular Formula: | C26 H36 F3 N5 O4 |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(NC(C)C)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7304 |
| logD: | 1.6898 |
| logSw: | -3.9071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.545 |
| InChI Key: | MGBAVJJXWVEQFF-UHFFFAOYSA-N |