3-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
Chemical Structure Depiction of
3-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
3-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
Compound characteristics
| Compound ID: | 4228-1449 |
| Compound Name: | 3-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C18 H17 N3 O4 |
| Smiles: | Cc1c(cccc1n1c(C)cc(/C=C2/C(NC(N2)=O)=O)c1C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.946 |
| logD: | -2.663 |
| logSw: | -2.7156 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.083 |
| InChI Key: | COGXBXSIAWPCCA-UHFFFAOYSA-N |