3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0458 |
| Compound Name: | 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccccc2[N+]([O-])=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2645 |
| logD: | 4.2592 |
| logSw: | -4.393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.707 |
| InChI Key: | HFEJNTDLLHEJLA-AWEZNQCLSA-N |