6-(butylsulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-(butylsulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-(butylsulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0013 |
| Compound Name: | 6-(butylsulfanyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CCCCSC1NC(c2cnn(c3ccccc3)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.746 |
| logD: | 3.6809 |
| logSw: | -3.7976 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.723 |
| InChI Key: | KYXHWCDBMYVYEG-UHFFFAOYSA-N |