4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzene-1-sulfonic acid
Chemical Structure Depiction of
4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzene-1-sulfonic acid
4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | D086-0362 |
| Compound Name: | 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzene-1-sulfonic acid |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | C1C(C(=C(N)N1c1ccc(cc1)S(O)(=O)=O)c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.724 |
| logD: | -14.4239 |
| logSw: | -2.1482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.404 |
| InChI Key: | KCZCZKLBCMKHMX-UHFFFAOYSA-N |