ethyl 4-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 4-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoate
ethyl 4-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | D585-0500 |
| Compound Name: | ethyl 4-[(6-hydroxy-9H-purin-2-yl)sulfanyl]butanoate |
| Molecular Weight: | 282.32 |
| Molecular Formula: | C11 H14 N4 O3 S |
| Smiles: | CCOC(CCCSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7596 |
| logD: | -0.0013 |
| logSw: | -1.905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.277 |
| InChI Key: | QSKVALZPILNZLP-UHFFFAOYSA-N |