ethyl 6-{[4-(4-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5606 |
| Compound Name: | ethyl 6-{[4-(4-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C29 H35 F N4 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCN(CC1)C(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5892 |
| logD: | 3.0578 |
| logSw: | -3.5365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.979 |
| InChI Key: | KWXRFRNUMSAJSS-SANMLTNESA-N |