2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | SC76-0748 |
| Compound Name: | 2-{rel-(1aR,7bR)-1a-[(benzyloxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 494.51 |
| Molecular Formula: | C28 H25 F3 N2 O3 |
| Smiles: | [H][C@]12C[C@]2(COCc2ccccc2)C(N(CC(NCc2ccc(cc2)C(F)(F)F)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.8185 |
| logD: | 4.8185 |
| logSw: | -4.9647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.227 |
| InChI Key: | PKFSBZMBLNKDTR-WNCULLNHSA-N |