1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6481-7322 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | Cc1cc2ccccc2n2c(nnc12)SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3808 |
| logD: | 3.3807 |
| logSw: | -3.6786 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.698 |
| InChI Key: | OWXJDDKFKJJEQZ-UHFFFAOYSA-N |