2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline
Chemical Structure Depiction of
2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline
2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline
Compound characteristics
| Compound ID: | 8019-8870 |
| Compound Name: | 2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C26 H22 N4 S |
| Smiles: | C(c1ccccc1)c1nnc(n1Cc1ccccc1)SCc1ccc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7241 |
| logD: | 5.6785 |
| logSw: | -6.8438 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.771 |
| InChI Key: | FIWKQLOJDSMIGS-UHFFFAOYSA-N |