1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | Y504-5547 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C27 H24 N6 O3 S |
| Smiles: | Cc1cc(c2c(C)nn(c3ccccc3)c2n1)c1nnc(n1C)SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1697 |
| logD: | 3.1693 |
| logSw: | -3.5235 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.323 |
| InChI Key: | YBWRYWKNPXINGP-UHFFFAOYSA-N |