methyl 4-[10-(3-chloro-4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl]benzoate
Chemical Structure Depiction of
methyl 4-[10-(3-chloro-4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl]benzoate
methyl 4-[10-(3-chloro-4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl]benzoate
Compound characteristics
| Compound ID: | C047-1241 |
| Compound Name: | methyl 4-[10-(3-chloro-4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl]benzoate |
| Molecular Weight: | 548.08 |
| Molecular Formula: | C32 H34 Cl N O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2c2ccc(c(c2)[Cl])OC)c2ccc(cc2)C(=O)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6743 |
| logD: | 5.6743 |
| logSw: | -6.1334 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.907 |
| InChI Key: | GQJBQFJVEYEOBU-UHFFFAOYSA-N |