4-(2-chloro-4-fluorophenyl)-1-(6-ethoxy-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-chloro-4-fluorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2-chloro-4-fluorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0426 |
| Compound Name: | 4-(2-chloro-4-fluorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 456.92 |
| Molecular Formula: | C22 H18 Cl F N4 O2 S |
| Smiles: | CCOc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(cc2[Cl])F)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4192 |
| logD: | 5.3366 |
| logSw: | -5.8816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.75 |
| InChI Key: | XAFHSELQDJNKGT-OAHLLOKOSA-N |