2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3652-0178 |
| Compound Name: | 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 576.18 |
| Molecular Formula: | C31 H30 Cl N3 O2 S2 |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nc(CSc3ccc(cc3)[Cl])cc(n2)O)=O)c2ccccc12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3444 |
| logD: | 7.0411 |
| logSw: | -5.9684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.301 |
| InChI Key: | JZEDEROKZGTJQZ-HKBQPEDESA-N |