8-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-9H-purin-6-amine
Chemical Structure Depiction of
8-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-9H-purin-6-amine
8-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-9H-purin-6-amine
Compound characteristics
| Compound ID: | 1323-0109 |
| Compound Name: | 8-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-9H-purin-6-amine |
| Molecular Weight: | 315.38 |
| Molecular Formula: | C12 H9 N7 S2 |
| Smiles: | C(c1ccc2c(c1)nsn2)Sc1nc2c(N)ncnc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.8475 |
| logD: | 1.6038 |
| logSw: | -2.1364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.765 |
| InChI Key: | WWTPTTDEJYFGQB-UHFFFAOYSA-N |