1-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8010-3531 |
| Compound Name: | 1-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | Cc1ccc2c(c1)C(C)(CC(C)(C)N2C(CSc1nnc[nH]1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7131 |
| logD: | 3.3586 |
| logSw: | -3.9675 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.95 |
| InChI Key: | PVFJSNXUEWVSQU-QHCPKHFHSA-N |