2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-8510 |
| Compound Name: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | Cc1cccc(c1)C1(C)CC(C)(C)N(C(CSc2nnc[nH]2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6967 |
| logD: | 3.3422 |
| logSw: | -3.9879 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.95 |
| InChI Key: | XWXRBBPPKORXPS-QHCPKHFHSA-N |