4-[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
4-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid
4-[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: | 4998-2302 |
| Compound Name: | 4-[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(c3ccc(cc3)C(O)=O)c2C)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8498 |
| logD: | 0.9637 |
| logSw: | -3.9074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.893 |
| InChI Key: | IGBFDMWQCSCKOV-UHFFFAOYSA-N |