4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid
Chemical Structure Depiction of
4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid
4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid
Compound characteristics
| Compound ID: | 6332-2060 |
| Compound Name: | 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoic acid |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C24 H19 N O4 |
| Smiles: | Cc1cc(ccc1n1c(C)cc(C=C2C(c3ccccc3C2=O)=O)c1C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5851 |
| logD: | 2.1906 |
| logSw: | -4.2508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.318 |
| InChI Key: | GMYSEPSPJQJXNL-UHFFFAOYSA-N |