ethyl 1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-1188 |
| Compound Name: | ethyl 1-methyl-6-{[3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 533.67 |
| Molecular Formula: | C30 H39 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCN(C(C)C1)C(Nc1ccccc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1747 |
| logD: | 2.4054 |
| logSw: | -3.9057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.018 |
| InChI Key: | PGYBBMXUFHWTKX-UHFFFAOYSA-N |