2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Compound characteristics
Compound ID: | E960-0363 |
Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide |
Molecular Weight: | 423.47 |
Molecular Formula: | C21 H18 F N5 O2 S |
Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2cn1)SCC(Nc1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.858 |
logD: | 2.8579 |
logSw: | -3.3876 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.048 |
InChI Key: | AHOSUKOSHZYWNW-UHFFFAOYSA-N |