N-(2H-1,3-benzodioxol-5-yl)-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)-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)-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G873-0213 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C21 H17 N5 O5 S |
| Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7454 |
| logD: | 2.6824 |
| logSw: | -3.4516 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.046 |
| InChI Key: | PAKDETGZXJKTRW-UHFFFAOYSA-N |