N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G873-0233 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5067 |
| logD: | 2.4437 |
| logSw: | -3.004 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.368 |
| InChI Key: | IDOFXNJVNKLTPZ-UHFFFAOYSA-N |