4-(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenyl benzenesulfonate
Chemical Structure Depiction of
4-(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenyl benzenesulfonate
4-(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 8005-8803 |
| Compound Name: | 4-(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenyl benzenesulfonate |
| Molecular Weight: | 505.63 |
| Molecular Formula: | C29 H31 N O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2)c2ccc(cc2)OS(c2ccccc2)(=O)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7732 |
| logD: | 0.3272 |
| logSw: | -4.625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.25 |
| InChI Key: | OLYCJGXCIYPNTA-UHFFFAOYSA-N |