N-{2-[cyclohexyl(methyl)amino]ethyl}-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-[cyclohexyl(methyl)amino]ethyl}-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
N-{2-[cyclohexyl(methyl)amino]ethyl}-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: | SC76-0632 |
| Compound Name: | N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide |
| Molecular Weight: | 479.59 |
| Molecular Formula: | C28 H34 F N3 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(NCCN(C)C2CCCCC2)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7612 |
| logD: | 2.32 |
| logSw: | -3.7461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.171 |
| InChI Key: | BMEXAPGDYCMKNA-UFHPHHKVSA-N |