ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9736 |
| Compound Name: | ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C29 H36 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8176 |
| logD: | 3.3035 |
| logSw: | -3.8249 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.197 |
| InChI Key: | CATGEHRZMNFBSG-UHFFFAOYSA-N |