4-(3-ethoxy-4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(3-ethoxy-4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3-ethoxy-4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2440 |
| Compound Name: | 4-(3-ethoxy-4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(Nc2c1c(C)nn2c1nc2ccc(cc2s1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8785 |
| logD: | 3.794 |
| logSw: | -3.7813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.929 |
| InChI Key: | PCJVAGQQHDNEOU-HNNXBMFYSA-N |