methyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
methyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D308-0388 |
| Compound Name: | methyl 4-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C20 H17 N3 O2 S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3795 |
| logD: | 4.3795 |
| logSw: | -4.3285 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.256 |
| InChI Key: | LAWDQDBCLMSUOQ-UHFFFAOYSA-N |