ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-0546 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C25 H36 F N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2F)NC(N(C)C=1CN1CCN(C(C)C1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9291 |
| logD: | 0.7621 |
| logSw: | -3.1561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.435 |
| InChI Key: | HNRKDBZOIISLHA-UHFFFAOYSA-N |