8-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
Chemical Structure Depiction of
8-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
8-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine
Compound characteristics
| Compound ID: | D058-0265 |
| Compound Name: | 8-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-9H-purin-6-amine |
| Molecular Weight: | 342.34 |
| Molecular Formula: | C13 H10 N8 O2 S |
| Smiles: | C(c1nc2ccc(cc2[nH]1)[N+]([O-])=O)Sc1nc2c(N)ncnc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.7252 |
| logD: | 1.4895 |
| logSw: | -2.3862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.246 |
| InChI Key: | HNXJTAZMZVOZOO-UHFFFAOYSA-N |