2-methyl-8-nitro-3-[2-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-8-nitro-3-[2-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-8-nitro-3-[2-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0215 |
| Compound Name: | 2-methyl-8-nitro-3-[2-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 393.32 |
| Molecular Formula: | C18 H14 F3 N3 O4 |
| Smiles: | CC12CC(c3cc(ccc3O2)[N+]([O-])=O)NC(N1c1ccccc1C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2956 |
| logD: | 4.2955 |
| logSw: | -4.5285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.157 |
| InChI Key: | BJSSGCBCYCLQOW-UHFFFAOYSA-N |