N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C365-0058 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9608 |
| logD: | 1.8978 |
| logSw: | -2.9415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.424 |
| InChI Key: | CORUSNKZKMIQNR-UHFFFAOYSA-N |