N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D585-0220 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C15 H13 N5 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0932 |
| logD: | -0.4462 |
| logSw: | -2.2585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.819 |
| InChI Key: | CYGHSAWHZPHXNA-UHFFFAOYSA-N |