ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3716 |
| Compound Name: | ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C29 H35 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2ccc(C)cc2)=O)=C(C(c2cccc(c2)F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0492 |
| logD: | 3.6194 |
| logSw: | -3.9149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.156 |
| InChI Key: | CGUCCRHTDNPSAD-UHFFFAOYSA-N |