8-bromo-2-methyl-3-(4-phenoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-2-methyl-3-(4-phenoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-2-methyl-3-(4-phenoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0119 |
| Compound Name: | 8-bromo-2-methyl-3-(4-phenoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 467.38 |
| Molecular Formula: | C23 H19 Br N2 O2 S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1ccc(cc1)Oc1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0603 |
| logD: | 6.0603 |
| logSw: | -5.6572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.6622 |
| InChI Key: | YADSWMDZHSSYQR-UHFFFAOYSA-N |