1-(1,3-benzothiazol-2-yl)-3-methyl-4-[4-(2-phenylethoxy)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[4-(2-phenylethoxy)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[4-(2-phenylethoxy)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0174 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[4-(2-phenylethoxy)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C28 H24 N4 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1ccc(cc1)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9757 |
| logD: | 5.9738 |
| logSw: | -5.5304 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.773 |
| InChI Key: | NBQNMKXZXRMAMG-QFIPXVFZSA-N |