N-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)methyl]-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
N-[(4-ethoxyphenyl)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: | SC76-0631 |
| Compound Name: | N-[(4-ethoxyphenyl)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: | 474.53 |
| Molecular Formula: | C28 H27 F N2 O4 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(NCc2ccc(cc2)OCC)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3681 |
| logD: | 4.3681 |
| logSw: | -4.1967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.415 |
| InChI Key: | AALWXBMERHDPKA-UFHPHHKVSA-N |