(3,5-dimethoxyphenyl)[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
(3,5-dimethoxyphenyl)[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone
(3,5-dimethoxyphenyl)[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: | C297-0085 |
| Compound Name: | (3,5-dimethoxyphenyl)[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl]methanone |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C26 H23 F N2 O4 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cc(cc(c2)OC)OC)=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7685 |
| logD: | 4.7685 |
| logSw: | -4.7165 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 37.971 |
| InChI Key: | GTVQUHMXQAJYNK-UHFFFAOYSA-N |