N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]propanamide
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]propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | F569-0444 |
| 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]propanamide |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C30 H27 N5 O3 S |
| Smiles: | CCc1c2c(nc(c3ccccc3)nc2n(c2ccccc2)n1)SC(C)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9619 |
| logD: | 5.9618 |
| logSw: | -5.7111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.053 |
| InChI Key: | JFYNOCNEKTVJBL-IBGZPJMESA-N |