4-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,4-dichlorophenyl)-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: | J094-0067 |
| Compound Name: | 4-(2,4-dichlorophenyl)-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: | 459.35 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O)c1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5403 |
| logD: | 5.4577 |
| logSw: | -5.8957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.17 |
| InChI Key: | KLFYVDTYDYILKT-CQSZACIVSA-N |