2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | D585-0050 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 345.38 |
| Molecular Formula: | C15 H15 N5 O3 S |
| Smiles: | COc1cccc(CNC(CSc2nc(c3c(n2)[nH]cn3)O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 0.8993 |
| logD: | 0.3598 |
| logSw: | -2.0667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.862 |
| InChI Key: | SXWJZYMSAYVWLS-UHFFFAOYSA-N |