2-(2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
Chemical Structure Depiction of
2-(2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
2-(2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
Compound characteristics
| Compound ID: | 3594-1028 |
| Compound Name: | 2-(2-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C28 H15 N O6 |
| Smiles: | Cc1ccc2C(c3ccccc3C(c2c1N1C(c2cccc3c(ccc(C1=O)c23)C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2186 |
| logD: | 3.2878 |
| logSw: | -5.2021 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.991 |
| InChI Key: | ONDULTXQVVLINI-UHFFFAOYSA-N |