6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-9H-purine
6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-9H-purine
Compound characteristics
| Compound ID: | 8009-6736 |
| Compound Name: | 6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-9H-purine |
| Molecular Weight: | 286.31 |
| Molecular Formula: | C13 H10 N4 O2 S |
| Smiles: | C1Oc2ccc(CSc3c4c(ncn3)[nH]cn4)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.9202 |
| logD: | 1.9201 |
| logSw: | -2.4705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.65 |
| InChI Key: | KRBFLOBPUMORJO-UHFFFAOYSA-N |