2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
Chemical Structure Depiction of
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
Compound characteristics
| Compound ID: | D585-0535 |
| Compound Name: | 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CCC(C(Nc1cccc(C)c1)=O)Sc1nc(c2c(n1)[nH]cn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5385 |
| logD: | 1.9991 |
| logSw: | -2.6847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.21 |
| InChI Key: | KNXYDUQTMDDBTB-NSHDSACASA-N |