ethyl 1-ethyl-4-(4-fluorophenyl)-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-(4-fluorophenyl)-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(4-fluorophenyl)-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9113 |
| Compound Name: | ethyl 1-ethyl-4-(4-fluorophenyl)-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C24 H33 F N4 O4 |
| Smiles: | CCC(N1CCN(CC1C)CC1=C(C(c2ccc(cc2)F)NC(N1CC)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5274 |
| logD: | 1.8565 |
| logSw: | -2.8307 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.9 |
| InChI Key: | LMHQKBDSBLNHJG-UHFFFAOYSA-N |