2-{[(2-chlorophenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(2-chlorophenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D585-0117 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 292.74 |
| Molecular Formula: | C12 H9 Cl N4 O S |
| Smiles: | C(c1ccccc1[Cl])Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 2.3815 |
| logD: | 1.842 |
| logSw: | -2.4425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.847 |
| InChI Key: | SCMKSDLKGKSGDM-UHFFFAOYSA-N |