[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone
[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | C297-0031 |
| Compound Name: | [3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C27 H25 F N2 O5 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cc(c(c(c2)OC)OC)OC)=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2838 |
| logD: | 4.2838 |
| logSw: | -4.5022 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 45.862 |
| InChI Key: | KOYBYWWXTWJFHL-UHFFFAOYSA-N |