ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V001-0908 |
| Compound Name: | ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C27 H33 F N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)S(c2ccccc2)(=O)=O)=C(C(c2ccccc2F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4452 |
| logD: | 3.2005 |
| logSw: | -3.7023 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.996 |
| InChI Key: | HAIQQZDGRDGUJM-UHFFFAOYSA-N |