8-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
Chemical Structure Depiction of
8-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
8-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
Compound characteristics
| Compound ID: | D058-0267 |
| Compound Name: | 8-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C20 H17 N7 S |
| Smiles: | C(c1ccccc1)n1c2ccccc2nc1CSc1nc2c(N)ncnc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.287 |
| logD: | 3.0513 |
| logSw: | -3.3051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.488 |
| InChI Key: | PFRQOJDBPCMJTC-UHFFFAOYSA-N |