2-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile
2-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D278-1225 |
| Compound Name: | 2-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C18 H12 N4 S |
| Smiles: | C(c1ccccc1C#N)Sc1nnc2ccc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 3.8603 |
| logD: | 3.8603 |
| logSw: | -4.3044 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.138 |
| InChI Key: | GWLWDUZAWRBMNS-UHFFFAOYSA-N |