8-bromo-10-methoxy-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-bromo-10-methoxy-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-bromo-10-methoxy-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0541 |
| Compound Name: | 8-bromo-10-methoxy-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 457.25 |
| Molecular Formula: | C19 H16 Br F3 N2 O3 |
| Smiles: | CC12CC(c3cc(cc(c3O2)OC)[Br])NC(N1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1203 |
| logD: | 5.1203 |
| logSw: | -5.1464 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.391 |
| InChI Key: | CDNDIGPKNIFBGC-UHFFFAOYSA-N |