(5-bromofuran-2-yl)[3-(4-fluorophenyl)-10-methoxy-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)-10-methoxy-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)-10-methoxy-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
Compound characteristics
| Compound ID: | C297-0053 |
| Compound Name: | (5-bromofuran-2-yl)[3-(4-fluorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone |
| Molecular Weight: | 517.37 |
| Molecular Formula: | C23 H18 Br F N2 O4 S |
| Smiles: | CC12CC(c3cccc(c3O2)OC)N(C(c2ccc(o2)[Br])=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6181 |
| logD: | 4.6181 |
| logSw: | -4.6044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 39.124 |
| InChI Key: | AOZZPANOXUXNPG-UHFFFAOYSA-N |