4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D585-0127 |
| Compound Name: | 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 283.31 |
| Molecular Formula: | C13 H9 N5 O S |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 1.0996 |
| logD: | 0.5602 |
| logSw: | -1.4333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.903 |
| InChI Key: | UZCLEAIGUAJEPR-UHFFFAOYSA-N |