3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid
3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4998-0076 |
| Compound Name: | 3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C26 H24 N4 O5 |
| Smiles: | Cc1ccc(cc1)NC(CN1C(/C(=C\c2cc(C)n(c3cccc(c3)C(O)=O)c2C)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9082 |
| logD: | -0.7238 |
| logSw: | -3.8934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.893 |
| InChI Key: | JLVGEQMKLSAPSI-UHFFFAOYSA-N |