1-(1,3-benzothiazol-2-yl)-4-[2-(benzyloxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-[2-(benzyloxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-[2-(benzyloxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0022 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-[2-(benzyloxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C27 H22 N4 O3 S |
| Smiles: | COc1cccc(C2CC(Nc3c2cnn3c2nc3ccccc3s2)=O)c1OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5722 |
| logD: | 5.5721 |
| logSw: | -5.3636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.305 |
| InChI Key: | VHVOZEFKKQIJIM-IBGZPJMESA-N |