4-(3,5-dichlorothiophen-2-yl)-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-(3,5-dichlorothiophen-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3,5-dichlorothiophen-2-yl)-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: | J094-0502 |
| Compound Name: | 4-(3,5-dichlorothiophen-2-yl)-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: | 465.38 |
| Molecular Formula: | C19 H14 Cl2 N4 O2 S2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O)c1c(cc(s1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1711 |
| logD: | 5.0884 |
| logSw: | -5.6349 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.189 |
| InChI Key: | PCAGPERRDSCJFO-JTQLQIEISA-N |