ethyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D585-0195 |
| Compound Name: | ethyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C16 H15 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7221 |
| logD: | 1.1826 |
| logSw: | -2.4189 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.75 |
| InChI Key: | NMQQYNKCGPTKAJ-UHFFFAOYSA-N |