3-(2H-1,3-benzodioxole-5-carbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxole-5-carbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4(1H)-one
3-(2H-1,3-benzodioxole-5-carbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4(1H)-one
Compound characteristics
Compound ID: | C567-0585 |
Compound Name: | 3-(2H-1,3-benzodioxole-5-carbonyl)-6-ethoxy-1-[(4-fluorophenyl)methyl]quinolin-4(1H)-one |
Molecular Weight: | 445.45 |
Molecular Formula: | C26 H20 F N O5 |
Smiles: | CCOc1ccc2c(c1)C(C(=CN2Cc1ccc(cc1)F)C(c1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5695 |
logD: | 4.5695 |
logSw: | -4.3571 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.269 |
InChI Key: | HQMWEZAFTLZGCJ-UHFFFAOYSA-N |