ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9116 |
| Compound Name: | ethyl 4-(3-fluorophenyl)-1-methyl-6-[(3-methyl-4-propanoylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C23 H31 F N4 O4 |
| Smiles: | CCC(N1CCN(CC1C)CC1=C(C(c2cccc(c2)F)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1065 |
| logD: | 1.3324 |
| logSw: | -2.9437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.941 |
| InChI Key: | JAQHADQQUZOYAY-UHFFFAOYSA-N |