(2-chloro-4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-6-methoxyphenoxy)acetic acid
Chemical Structure Depiction of
(2-chloro-4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-6-methoxyphenoxy)acetic acid
(2-chloro-4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-6-methoxyphenoxy)acetic acid
Compound characteristics
| Compound ID: | 4917-0275 |
| Compound Name: | (2-chloro-4-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}-6-methoxyphenoxy)acetic acid |
| Molecular Weight: | 418.83 |
| Molecular Formula: | C20 H19 Cl N2 O6 |
| Smiles: | COc1cc(/C=N/N2C(C3C4CCC(C=C4)C3C2=O)=O)cc(c1OCC(O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9441 |
| logD: | -2.2928 |
| logSw: | -2.7702 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.706 |
| InChI Key: | XGVOVZFIRCEVMS-UHFFFAOYSA-N |