5-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
5-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 4764-3635 |
| Compound Name: | 5-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C24 H17 N O6 |
| Smiles: | Cc1cc(C=C2C(c3ccccc3C2=O)=O)c(C)n1c1cc(cc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9763 |
| logD: | -1.1336 |
| logSw: | -4.162 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.027 |
| InChI Key: | SFTVDGWACDQODK-UHFFFAOYSA-N |