ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V024-6830 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 615.07 |
| Molecular Formula: | C27 H30 Cl F3 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5374 |
| logD: | 4.282 |
| logSw: | -4.8122 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84 |
| InChI Key: | PSZRXTCHCGNRHN-XMMPIXPASA-N |