3-(2,4-difluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(2,4-difluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(2,4-difluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0021 |
| Compound Name: | 3-(2,4-difluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 332.37 |
| Molecular Formula: | C17 H14 F2 N2 O S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1ccc(cc1F)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6403 |
| logD: | 3.6403 |
| logSw: | -4.0699 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6135 |
| InChI Key: | XSNPFKWIJCNOIW-UHFFFAOYSA-N |