N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F569-0434 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C29 H25 N5 O3 S |
| Smiles: | CCc1c2c(nc(c3ccccc3)nc2n(c2ccccc2)n1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5012 |
| logD: | 5.5012 |
| logSw: | -5.6611 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.839 |
| InChI Key: | MQYKNUPFYRNPSH-UHFFFAOYSA-N |