N-(3-cyanophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-(3-cyanophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0193 |
| Compound Name: | N-(3-cyanophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 326.33 |
| Molecular Formula: | C14 H10 N6 O2 S |
| Smiles: | C(C(Nc1cccc(C#N)c1)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 0.9816 |
| logD: | 0.4422 |
| logSw: | -2.1941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.052 |
| InChI Key: | YVAUHSFAUKDEJG-UHFFFAOYSA-N |