2-methyl-6-[(4-methylbenzene-1-sulfonyl)amino]-7-oxo-7H-naphtho[1,2,3-de]quinoline-4-sulfonic acid
Chemical Structure Depiction of
2-methyl-6-[(4-methylbenzene-1-sulfonyl)amino]-7-oxo-7H-naphtho[1,2,3-de]quinoline-4-sulfonic acid
2-methyl-6-[(4-methylbenzene-1-sulfonyl)amino]-7-oxo-7H-naphtho[1,2,3-de]quinoline-4-sulfonic acid
Compound characteristics
| Compound ID: | 1050-0002 |
| Compound Name: | 2-methyl-6-[(4-methylbenzene-1-sulfonyl)amino]-7-oxo-7H-naphtho[1,2,3-de]quinoline-4-sulfonic acid |
| Molecular Weight: | 494.54 |
| Molecular Formula: | C24 H18 N2 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(Nc1cc(c2c3c(cc(C)n2)c2ccccc2C(c13)=O)S(O)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9667 |
| logD: | -12.0061 |
| logSw: | -3.0973 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.307 |
| InChI Key: | YSEQJQBQYTXNGX-UHFFFAOYSA-N |