2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D585-0164 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C14 H14 N6 O2 S2 |
| Smiles: | C1CCc2c(C1)nc(NC(CSc1nc(c3c(n1)[nH]cn3)O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.7794 |
| logD: | 1.24 |
| logSw: | -2.2941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.464 |
| InChI Key: | CQJNTHDOUAQTSG-UHFFFAOYSA-N |