ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)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-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V021-5958 |
| Compound Name: | ethyl 1-ethyl-4-(3-fluorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C26 H31 F N4 O4 S |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2cccs2)=O)=C(C(c2cccc(c2)F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5567 |
| logD: | 3.139 |
| logSw: | -3.6762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.174 |
| InChI Key: | CRUGGRBSJMSYLZ-UHFFFAOYSA-N |