ethyl 4-(4-tert-butylphenyl)-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-tert-butylphenyl)-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V003-0521 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C30 H37 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)(C)C)NC(N(C)C=1CN1CCN(CC1)C(c1cccc(c1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0551 |
| logD: | 3.5236 |
| logSw: | -3.9555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.979 |
| InChI Key: | JIXPIOWVOORGOL-AREMUKBSSA-N |