3-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
3-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 4281-2127 |
| Compound Name: | 3-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C23 H17 N O4 |
| Smiles: | Cc1cc(C=C2C(c3ccccc3C2=O)=O)c(C)n1c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0794 |
| logD: | -0.5526 |
| logSw: | -4.2324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.619 |
| InChI Key: | GSVFZJTXYPPKKE-UHFFFAOYSA-N |