ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C430-5361 |
| Compound Name: | ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C22 H31 F N4 O3 |
| Smiles: | CCC(C)N1CCN(CC1)CC1=C(C(c2ccc(cc2)F)NC(N1)=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2477 |
| logD: | 2.2477 |
| logSw: | -2.9148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.233 |
| InChI Key: | KNRVBYUXFRNVLV-UHFFFAOYSA-N |