benzyl [(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
benzyl [(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D308-0146 |
| Compound Name: | benzyl [(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C20 H17 N3 O2 S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4448 |
| logD: | 4.4448 |
| logSw: | -4.5674 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.616 |
| InChI Key: | KBBNVTNCINQWFA-UHFFFAOYSA-N |