2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D585-0558 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C14 H13 N5 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5816 |
| logD: | 1.0422 |
| logSw: | -2.3677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.996 |
| InChI Key: | RETSPNDXPOSECS-UHFFFAOYSA-N |