[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)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](thiophen-2-yl)methanone
[3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | C297-0020 |
| Compound Name: | [3-(4-fluorophenyl)-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C22 H17 F N2 O2 S2 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cccs2)=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5657 |
| logD: | 4.5657 |
| logSw: | -4.5821 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 23.9021 |
| InChI Key: | OMSCJHVSSFOZHZ-UHFFFAOYSA-N |