methyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D585-0056 |
| Compound Name: | methyl 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C15 H13 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2114 |
| logD: | 0.672 |
| logSw: | -2.1127 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.17 |
| InChI Key: | DIHLDHNJIHWRJW-UHFFFAOYSA-N |