ethyl 4-{2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F569-0426 |
| Compound Name: | ethyl 4-{2-[(3-ethyl-1,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C30 H27 N5 O3 S |
| Smiles: | CCc1c2c(nc(c3ccccc3)nc2n(c2ccccc2)n1)SCC(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1301 |
| logD: | 7.1299 |
| logSw: | -6.0561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.77 |
| InChI Key: | OTPOIHJZXOWKCJ-UHFFFAOYSA-N |