2-{[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile
2-{[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D308-0443 |
| Compound Name: | 2-{[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C21 H18 N4 S |
| Smiles: | Cc1cc(C)c2c(c1)c(C)cc1nnc(n12)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.4644 |
| logD: | 5.4644 |
| logSw: | -5.7928 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.914 |
| InChI Key: | IHQNHWIJVRBCJV-UHFFFAOYSA-N |