ethyl 4-(4-tert-butylphenyl)-6-{[4-(methoxyacetyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-6-{[4-(methoxyacetyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-tert-butylphenyl)-6-{[4-(methoxyacetyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V001-0872 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-6-{[4-(methoxyacetyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C27 H40 N4 O5 |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)(C)C)NC(N(C)C=1CN1CCN(C(C)C1)C(COC)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8583 |
| logD: | 2.154 |
| logSw: | -3.0968 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.365 |
| InChI Key: | LNBFYLXNNCUFAD-UHFFFAOYSA-N |