ethyl 6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-5230 |
| Compound Name: | ethyl 6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C24 H27 F N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccsc2)NC(N(C)C=1CN1CCN(CC1)C(c1ccccc1F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1684 |
| logD: | 1.637 |
| logSw: | -2.949 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.997 |
| InChI Key: | SMVPYBUYMBEVIG-NRFANRHFSA-N |