2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | G731-0202 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 384.89 |
| Molecular Formula: | C19 H17 Cl N4 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5634 |
| logD: | 2.3717 |
| logSw: | -3.9522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.531 |
| InChI Key: | AKAPOWDGTKIUNA-UHFFFAOYSA-N |