3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid
Chemical Structure Depiction of
3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid
3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 5871-1860 |
| Compound Name: | 3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid |
| Molecular Weight: | 463.45 |
| Molecular Formula: | C28 H17 N O6 |
| Smiles: | Cc1ccc(cc1N1C(c2cc3c(cc2C1=O)oc1ccccc1c1ccccc1o3)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.882 |
| logD: | 4.6099 |
| logSw: | -5.5951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.786 |
| InChI Key: | RAZMBQVXCYHGIA-UHFFFAOYSA-N |