6-(benzylsulfanyl)-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-(benzylsulfanyl)-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-(benzylsulfanyl)-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0271 |
| Compound Name: | 6-(benzylsulfanyl)-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5618 |
| logD: | 4.5231 |
| logSw: | -4.2428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | LIBDHIUMQFPJFD-UHFFFAOYSA-N |