2-[(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-[(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-[(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: | 6186-1109 |
| Compound Name: | 2-[(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: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nnc[nH]2)=O)c2ccccc12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2372 |
| logD: | 2.8826 |
| logSw: | -3.7592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.95 |
| InChI Key: | ZTKYNNYXODEYQV-QFIPXVFZSA-N |