2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-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-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3652-0179 |
| Compound Name: | 2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 555.76 |
| Molecular Formula: | C32 H33 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCc1cc(nc(n1)SCC(N1c2ccccc2C(C)(CC1(C)C)c1ccccc1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1731 |
| logD: | 6.8698 |
| logSw: | -5.5508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.301 |
| InChI Key: | FMLVTWXWTNPIEZ-YTTGMZPUSA-N |