3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]-2-methylbenzoic 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]-2-methylbenzoic acid
3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]-2-methylbenzoic acid
Compound characteristics
| Compound ID: | 4998-2792 |
| Compound Name: | 3-[2,5-dimethyl-3-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)-1H-pyrrol-1-yl]-2-methylbenzoic acid |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C27 H26 N4 O5 |
| Smiles: | Cc1ccc(cc1)NC(CN1C(/C(=C\c2cc(C)n(c3cccc(C(O)=O)c3C)c2C)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0187 |
| logD: | -0.5903 |
| logSw: | -4.0797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.592 |
| InChI Key: | INJHASXSJPNZBN-UHFFFAOYSA-N |