ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9731 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 565.06 |
| Molecular Formula: | C26 H30 Cl F N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)=C(C(c2ccc(cc2)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6937 |
| logD: | 3.4344 |
| logSw: | -4.4548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84 |
| InChI Key: | LCGPTYXOVYVMAV-XMMPIXPASA-N |