ethyl 4-(2,5-dimethylphenyl)-1-ethyl-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-1-ethyl-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-1-ethyl-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-9437 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-1-ethyl-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C30 H37 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2ccc(cc2)F)=O)=C(C(c2cc(C)ccc2C)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5161 |
| logD: | 4.0862 |
| logSw: | -4.0845 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.156 |
| InChI Key: | NROYKZSDLHFLFB-UHFFFAOYSA-N |