2-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile
2-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D585-0510 |
| Compound Name: | 2-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 283.31 |
| Molecular Formula: | C13 H9 N5 O S |
| Smiles: | C(c1ccccc1C#N)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 1.5252 |
| logD: | 0.9857 |
| logSw: | -2.0935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.903 |
| InChI Key: | SRAZXSUKBYYBGM-UHFFFAOYSA-N |