2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D585-0047 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nc(c2c(n1)[nH]cn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3685 |
| logD: | 0.8291 |
| logSw: | -2.185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.855 |
| InChI Key: | GWZJWAPSNIBVPR-UHFFFAOYSA-N |