1-(azepan-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(azepan-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0153 |
| Compound Name: | 1-(azepan-1-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 307.37 |
| Molecular Formula: | C13 H17 N5 O2 S |
| Smiles: | C1CCCN(CC1)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8794 |
| logD: | 0.34 |
| logSw: | -1.8839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.57 |
| InChI Key: | JWQUILQWJGBWBW-UHFFFAOYSA-N |