ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3758 |
| Compound Name: | ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 525.57 |
| Molecular Formula: | C25 H34 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(NC(C)C)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2499 |
| logD: | 1.1848 |
| logSw: | -3.3737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.326 |
| InChI Key: | ZKXVAHUAVMMZGD-NRFANRHFSA-N |