ethyl 6-{[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9068 |
| Compound Name: | ethyl 6-{[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C25 H34 N4 O4 |
| Smiles: | CCOC(C1C(c2ccccc2)NC(N(C)C=1CN1CCN(C(C)C1)C(C1CCC1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9591 |
| logD: | 1.0082 |
| logSw: | -2.4048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.72 |
| InChI Key: | IHQNWDDMXSTDOM-UHFFFAOYSA-N |