2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | D585-0068 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C16 H12 N4 O3 S |
| Smiles: | Cc1c(C(CSc2nc(c3c(n2)[nH]cn3)O)=O)c2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 2.1371 |
| logD: | 1.5977 |
| logSw: | -2.5775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.041 |
| InChI Key: | IUAAYPHKBYVUSR-UHFFFAOYSA-N |