1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G878-0189 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C27 H22 F N5 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(c2c[nH]c3ccccc23)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.381 |
| logD: | 5.381 |
| logSw: | -5.8507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.64 |
| InChI Key: | FXQHYFXWLUISCI-UHFFFAOYSA-N |