6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine
6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine
Compound characteristics
| Compound ID: | D691-0008 |
| Compound Name: | 6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine |
| Molecular Weight: | 256.33 |
| Molecular Formula: | C13 H12 N4 S |
| Smiles: | Cc1ccccc1CSc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.8492 |
| logD: | 2.849 |
| logSw: | -2.9272 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.535 |
| InChI Key: | ZSISWONFONJBBH-UHFFFAOYSA-N |