2-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-6-ol
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-6-ol
2-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-6-ol
Compound characteristics
| Compound ID: | D071-0033 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-6-ol |
| Molecular Weight: | 303.3 |
| Molecular Formula: | C12 H9 N5 O3 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 1.3709 |
| logD: | 0.8314 |
| logSw: | -2.1322 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.228 |
| InChI Key: | WHKVCAGKGQNACH-UHFFFAOYSA-N |