ethyl 1-methyl-6-{[4-(3-methylbutanoyl)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-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-6831 |
| Compound Name: | ethyl 1-methyl-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C27 H40 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCN(CC1)C(CC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5212 |
| logD: | 2.7264 |
| logSw: | -3.4191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.723 |
| InChI Key: | NIUDXPWJSXLDON-RUZDIDTESA-N |