N-[(2,5-dimethoxyphenyl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
N-[(2,5-dimethoxyphenyl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
Compound characteristics
Compound ID: | SC76-0595 |
Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide |
Molecular Weight: | 490.53 |
Molecular Formula: | C28 H27 F N2 O5 |
Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(NCc2cc(ccc2OC)OC)=O)c2ccccc12)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.1993 |
logD: | 4.1993 |
logSw: | -4.3155 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.466 |
InChI Key: | JKACIVXSXXSGQI-QDPGVEIFSA-N |