2-{[(4-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(4-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D071-0030 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | Cc1ccc(CSc2nc(c3c(n2)[nH]cn3)O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8686 |
| logD: | 1.3291 |
| logSw: | -1.6876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.847 |
| InChI Key: | UFPRTVPXDQWOLN-UHFFFAOYSA-N |