2-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzonitrile
2-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | 8009-7339 |
| Compound Name: | 2-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C17 H11 N5 S |
| Smiles: | C(c1ccccc1C#N)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1039 |
| logD: | 3.1039 |
| logSw: | -3.4356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.591 |
| InChI Key: | ZPDRDPNCESNTKM-UHFFFAOYSA-N |