methyl 4-{3,3,6,6-tetramethyl-1,8-dioxo-10-[(pyridin-3-yl)methyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3,3,6,6-tetramethyl-1,8-dioxo-10-[(pyridin-3-yl)methyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoate
methyl 4-{3,3,6,6-tetramethyl-1,8-dioxo-10-[(pyridin-3-yl)methyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoate
Compound characteristics
| Compound ID: | C047-1257 |
| Compound Name: | methyl 4-{3,3,6,6-tetramethyl-1,8-dioxo-10-[(pyridin-3-yl)methyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoate |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C31 H34 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)N2Cc2cccnc2)c2ccc(cc2)C(=O)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4615 |
| logD: | 4.4608 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.406 |
| InChI Key: | DBWGRQVIMOQXME-UHFFFAOYSA-N |