4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
Chemical Structure Depiction of
4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 5752-4030 |
| Compound Name: | 4-{4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | CC1/C(=C/c2ccc3c(c2)N(C)C(N3C)=O)C(N(c2ccc(cc2)S(O)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1868 |
| logD: | -13.8868 |
| logSw: | -2.0736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.685 |
| InChI Key: | LPWFYJWMGXIYSZ-UHFFFAOYSA-N |