2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
Chemical Structure Depiction of
2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
Compound characteristics
| Compound ID: | SC76-0512 |
| Compound Name: | 2-[rel-(1aR,7bR)-2-oxo-1a-(phenoxymethyl)-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C21 H19 F3 N2 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccccc2)C(N(CC(NCC(F)(F)F)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3371 |
| logD: | 3.3358 |
| logSw: | -3.5167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.563 |
| InChI Key: | ZSSQCDHCBOYVHO-OXJNMPFZSA-N |