1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0059 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C19 H18 N4 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1897 |
| logD: | 1.998 |
| logSw: | -3.4003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.531 |
| InChI Key: | AJTSCIPXBOTXPJ-UHFFFAOYSA-N |