2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D585-0508 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nc(c3c(n2)[nH]cn3)O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9503 |
| logD: | 2.4108 |
| logSw: | -2.7003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.847 |
| InChI Key: | ZPMJSIVWXDHXEF-UHFFFAOYSA-N |