1-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
Compound ID: | J081-0146 |
Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
Molecular Weight: | 388.49 |
Molecular Formula: | C22 H20 N4 O S |
Smiles: | Cc1ccc(C)c(c1)C1CC(Nc2c1c(C)nn2c1nc2ccccc2s1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0045 |
logD: | 5.0025 |
logSw: | -4.6229 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.627 |
InChI Key: | VIEIPUNLJFWKKU-INIZCTEOSA-N |