(5-bromofuran-2-yl)[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl)[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
(5-bromofuran-2-yl)[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
Compound characteristics
| Compound ID: | C297-0058 |
| Compound Name: | (5-bromofuran-2-yl)[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C22 H16 Br F N2 O3 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(o2)[Br])=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6924 |
| logD: | 4.6924 |
| logSw: | -4.5959 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.81 |
| InChI Key: | OIJKFHCUAZMEHE-UHFFFAOYSA-N |