4-[4-(benzyloxy)-3-ethoxyphenyl]-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-[4-(benzyloxy)-3-ethoxyphenyl]-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-[4-(benzyloxy)-3-ethoxyphenyl]-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0799 |
| Compound Name: | 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C27 H25 N7 O3 |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1)C1CC(Nc2c1c(C)nn2c1ccc2nncn2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7857 |
| logD: | 2.7844 |
| logSw: | -3.2941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.16 |
| InChI Key: | YXJQNUFSAIPAEA-FQEVSTJZSA-N |