3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-2-yl]propanoic acid
Chemical Structure Depiction of
3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-2-yl]propanoic acid
3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 4356-0375 |
| Compound Name: | 3-[6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-2-yl]propanoic acid |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | CCc1cc2C(C(=C(CCC(O)=O)Oc2cc1O)c1nc2ccccc2n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.236 |
| logD: | 0.2565 |
| logSw: | -3.5108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.462 |
| InChI Key: | LCTAXJLHFSHXLM-UHFFFAOYSA-N |