methyl 4-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
methyl 4-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D308-0145 |
| Compound Name: | methyl 4-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C19 H15 N3 O2 S |
| Smiles: | COC(c1ccc(CSc2nnc3ccc4ccccc4n23)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8711 |
| logD: | 3.8711 |
| logSw: | -4.2164 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.256 |
| InChI Key: | NOYACPNGMQRIKW-UHFFFAOYSA-N |