1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | 7832-0106 |
| Compound Name: | 1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C19 H14 N4 O S |
| Smiles: | CC(c1cccc(c1)n1c(c2ccc3ccccc3n2)nnc1S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0895 |
| logD: | 1.8887 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.615 |
| InChI Key: | ZRUVGBPCNNGJIA-UHFFFAOYSA-N |