4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | D086-0361 |
| Compound Name: | 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 334.33 |
| Molecular Formula: | C18 H14 N4 O3 |
| Smiles: | C1C(C(=C(N)N1c1ccc(cc1)C(O)=O)c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2738 |
| logD: | -0.1214 |
| logSw: | -2.8307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.398 |
| InChI Key: | OAZSJYUBYFHXQO-UHFFFAOYSA-N |