ethyl 6-{[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7959 |
| Compound Name: | ethyl 6-{[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(NC=1CN1CCN(CC1)c1nc2ccccc2o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6652 |
| logD: | 3.6652 |
| logSw: | -4.3805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.198 |
| InChI Key: | AIXVSUKXHKEQNL-QFIPXVFZSA-N |