4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid
Chemical Structure Depiction of
4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid
4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid
Compound characteristics
| Compound ID: | C047-1350 |
| Compound Name: | 4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C32 H35 N O4 |
| Smiles: | Cc1ccc(CN2C3CC(C)(C)CC(C=3C(C3=C2CC(C)(C)CC3=O)c2ccc(cc2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9555 |
| logD: | 2.9841 |
| logSw: | -5.511 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.122 |
| InChI Key: | VNDAKXIDVRTQKB-UHFFFAOYSA-N |