2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-5342 |
| Compound Name: | 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C28 H28 N4 O S |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nnc(c3ccccc3)[nH]2)=O)c2ccccc12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2537 |
| logD: | 4.062 |
| logSw: | -5.2012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.032 |
| InChI Key: | XBHHZEYOENTBHK-NDEPHWFRSA-N |