2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E960-1123 |
| Compound Name: | 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C24 H22 F N5 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.905 |
| logD: | 2.905 |
| logSw: | -3.2291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.005 |
| InChI Key: | RBLCVJBTEMMAQE-UHFFFAOYSA-N |