1-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluorophenyl)-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-chloro-6-fluorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0092 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-(2-chloro-6-fluorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C19 H12 Cl F N4 O S |
| Smiles: | C1C(c2cnn(c2NC1=O)c1nc2ccccc2s1)c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5193 |
| logD: | 4.5192 |
| logSw: | -4.546 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.274 |
| InChI Key: | JGRRNCDFXVJDMG-JTQLQIEISA-N |