1-(1H-benzimidazol-2-yl)-3-methyl-4-(5-nitrothiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1H-benzimidazol-2-yl)-3-methyl-4-(5-nitrothiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1H-benzimidazol-2-yl)-3-methyl-4-(5-nitrothiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0627 |
| Compound Name: | 1-(1H-benzimidazol-2-yl)-3-methyl-4-(5-nitrothiophen-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C18 H14 N6 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3[nH]2)n1)=O)c1ccc([N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7458 |
| logD: | 0.5927 |
| logSw: | -3.2077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.061 |
| InChI Key: | SYFUUUOPPBSJQP-JTQLQIEISA-N |