1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0095 |
| Compound Name: | 1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 484.33 |
| Molecular Formula: | C20 H14 Br N5 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)[Br])n1)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6024 |
| logD: | 4.6005 |
| logSw: | -4.4577 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.707 |
| InChI Key: | LUYXSRBKBWZQBB-ZDUSSCGKSA-N |