4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8005-4059 |
| Compound Name: | 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-1,3-phenylene bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 590.63 |
| Molecular Formula: | C29 H22 N2 O8 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=N/N2C(c3ccccc3C2=O)=O)c(c1)OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.386 |
| logD: | 5.386 |
| logSw: | -5.4418 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 111.516 |
| InChI Key: | QWRBTUFECKIQFV-UHFFFAOYSA-N |