4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methylbenzene-1-sulfonate
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y020-5555 |
| Compound Name: | 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CC1=CC(C)(C)N2C(C(c3cc(cc1c23)OS(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9231 |
| logD: | 3.9231 |
| logSw: | -4.0559 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.601 |
| InChI Key: | DSQQOMFREMMIBZ-UHFFFAOYSA-N |