[3-(4-fluorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[3-(4-fluorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3-nitrophenyl)methanone
[3-(4-fluorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | C297-0065 |
| Compound Name: | [3-(4-fluorophenyl)-10-methoxy-2-methyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C25 H20 F N3 O5 S |
| Smiles: | CC12CC(c3cccc(c3O2)OC)N(C(c2cccc(c2)[N+]([O-])=O)=O)C(N1c1ccc(cc1)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3562 |
| logD: | 4.3562 |
| logSw: | -4.6333 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.58 |
| InChI Key: | MGUQKXVPVKRBEM-UHFFFAOYSA-N |