methyl 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D585-0126 |
| Compound Name: | methyl 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 316.34 |
| Molecular Formula: | C14 H12 N4 O3 S |
| Smiles: | COC(c1ccc(CSc2nc(c3c(n2)[nH]cn3)O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3725 |
| logD: | 1.2177 |
| logSw: | -2.2529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.94 |
| InChI Key: | DHYMNFSSFKFWBG-UHFFFAOYSA-N |