2-{[(2-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(2-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D071-0028 |
| Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | Cc1ccccc1CSc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 2.5229 |
| logD: | 1.9835 |
| logSw: | -1.9813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.847 |
| InChI Key: | HBOIGWUQWSVGKX-UHFFFAOYSA-N |