3-(7,7-dimethyl-9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-(7,7-dimethyl-9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl 4-methylbenzene-1-sulfonate
3-(7,7-dimethyl-9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y020-5118 |
| Compound Name: | 3-(7,7-dimethyl-9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 525.62 |
| Molecular Formula: | C31 H27 N O5 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(c1ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5701 |
| logD: | 1.3966 |
| logSw: | -5.5279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.401 |
| InChI Key: | TWXYKRSLXYUJNS-SANMLTNESA-N |