2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D308-0371 |
| Compound Name: | 2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.538 |
| logD: | 4.538 |
| logSw: | -4.4935 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.649 |
| InChI Key: | CZFGMPIBEVAMBA-UHFFFAOYSA-N |