N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
Compound characteristics
Compound ID: | C598-0514 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide |
Molecular Weight: | 394.86 |
Molecular Formula: | C22 H19 Cl N2 O3 |
Smiles: | C1CCc2c(C1)c(c1ccc(cc1n2)C(NCc1ccc2c(c1)OCO2)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 5.0133 |
logD: | 4.9709 |
logSw: | -5.3433 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.519 |
InChI Key: | MNFXHAGLMSGEDF-UHFFFAOYSA-N |