1-(1,3-benzothiazol-2-yl)-4-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0287 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-[4-(benzyloxy)-3-methoxyphenyl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1ccc(c(c1)OC)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2608 |
| logD: | 5.2589 |
| logSw: | -5.2448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.571 |
| InChI Key: | JMYAZIIGQZGZPU-FQEVSTJZSA-N |