ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9127 |
| Compound Name: | ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C27 H31 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)F)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccccc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9443 |
| logD: | 2.4302 |
| logSw: | -3.3059 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.197 |
| InChI Key: | MRQICEZUCVSEMH-UHFFFAOYSA-N |