2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide
Chemical Structure Depiction of
2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide
2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide
Compound characteristics
| Compound ID: | F569-0452 |
| Compound Name: | 2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)butanamide |
| Molecular Weight: | 537.68 |
| Molecular Formula: | C31 H31 N5 O2 S |
| Smiles: | CCC(C(Nc1cc(C)ccc1OC)=O)Sc1c2c(CC)nn(c3ccccc3)c2nc(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6419 |
| logD: | 7.6418 |
| logSw: | -5.9268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.162 |
| InChI Key: | KBDGCUCFAGSCOY-SANMLTNESA-N |