3-(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonyl)benzene-1-sulfonic acid
Chemical Structure Depiction of
3-(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonyl)benzene-1-sulfonic acid
3-(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonyl)benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 0289-0004 |
| Compound Name: | 3-(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonyl)benzene-1-sulfonic acid |
| Molecular Weight: | 524.35 |
| Molecular Formula: | C24 H14 Br N O6 S |
| Smiles: | CN1C(C(=C2c3ccccc3C(c3c(ccc1c23)[Br])=O)C(c1cccc(c1)S(O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7873 |
| logD: | -11.9127 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.055 |
| InChI Key: | PPWUWWJKCOMUTB-UHFFFAOYSA-N |