1-(2,4-dichlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
1-(2,4-dichlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D585-0236 |
| Compound Name: | 1-(2,4-dichlorophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 355.2 |
| Molecular Formula: | C13 H8 Cl2 N4 O2 S |
| Smiles: | C(C(c1ccc(cc1[Cl])[Cl])=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | ACHIRAL |
| logP: | 2.5988 |
| logD: | 2.0593 |
| logSw: | -3.393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.094 |
| InChI Key: | GFJTTZLGUHKUSM-UHFFFAOYSA-N |