2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D585-0026 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C14 H13 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4806 |
| logD: | 0.9412 |
| logSw: | -2.2638 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.996 |
| InChI Key: | GPGHXJJCVDNDOF-UHFFFAOYSA-N |