6-{[(4-methylphenyl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(4-methylphenyl)methyl]sulfanyl}-9H-purine
6-{[(4-methylphenyl)methyl]sulfanyl}-9H-purine
Compound characteristics
| Compound ID: | D691-0009 |
| Compound Name: | 6-{[(4-methylphenyl)methyl]sulfanyl}-9H-purine |
| Molecular Weight: | 256.33 |
| Molecular Formula: | C13 H12 N4 S |
| Smiles: | Cc1ccc(CSc2c3c(ncn2)[nH]cn3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1949 |
| logD: | 2.1947 |
| logSw: | -2.0884 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.535 |
| InChI Key: | YIYGATPLOFBSGV-UHFFFAOYSA-N |