(2R*)-3-[2-chloro-5-(trifluoromethyl)phenyl]-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-3-[2-chloro-5-(trifluoromethyl)phenyl]-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-3-[2-chloro-5-(trifluoromethyl)phenyl]-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0138 |
| Compound Name: | (2R*)-3-[2-chloro-5-(trifluoromethyl)phenyl]-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 412.79 |
| Molecular Formula: | C19 H16 Cl F3 N2 O3 |
| Smiles: | C[C@@]12C[C@@H](c3cccc(c3O2)OC)NC(N1c1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6922 |
| logD: | 4.6922 |
| logSw: | -5.0548 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.091 |
| InChI Key: | LZANUOCLEBWBCI-SCLBCKFNSA-N |