ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-4-(4-tert-butylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-4-(4-tert-butylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-4-(4-tert-butylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-2534 |
| Compound Name: | ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-4-(4-tert-butylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 576.69 |
| Molecular Formula: | C32 H40 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)(C)C)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4975 |
| logD: | 3.9834 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.313 |
| InChI Key: | UDTUQPPZKORCFD-UHFFFAOYSA-N |