ethyl N-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}glycinate
Chemical Structure Depiction of
ethyl N-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}glycinate
ethyl N-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}glycinate
Compound characteristics
| Compound ID: | D585-0102 |
| Compound Name: | ethyl N-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetyl}glycinate |
| Molecular Weight: | 311.32 |
| Molecular Formula: | C11 H13 N5 O4 S |
| Smiles: | CCOC(CNC(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3766 |
| logD: | -0.9161 |
| logSw: | -1.729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.749 |
| InChI Key: | NQVWCKYESDQTDZ-UHFFFAOYSA-N |