ethyl 4-(3-fluorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-fluorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-fluorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1605 |
| Compound Name: | ethyl 4-(3-fluorophenyl)-1-methyl-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C27 H33 F N4 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)F)NC(N(C)C=1CN1CCN(C(C)C1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4272 |
| logD: | 3.1258 |
| logSw: | -3.768 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.037 |
| InChI Key: | PAAZYVNIUOVOCX-UHFFFAOYSA-N |