2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D585-0513 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 284.34 |
| Molecular Formula: | C14 H12 N4 O S |
| Smiles: | C=Cc1ccc(CSc2nc(c3c(n2)[nH]cn3)O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0396 |
| logD: | 1.5001 |
| logSw: | -2.0037 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.847 |
| InChI Key: | NSKGQQYSKUPHMG-UHFFFAOYSA-N |