(3-fluorophenyl)(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone
Chemical Structure Depiction of
(3-fluorophenyl)(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone
(3-fluorophenyl)(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone
Compound characteristics
| Compound ID: | C297-0087 |
| Compound Name: | (3-fluorophenyl)(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H19 F N2 O2 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cccc(c2)F)=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4568 |
| logD: | 4.4568 |
| logSw: | -4.5074 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 22.8837 |
| InChI Key: | RNBGNJKSQFSSMX-UHFFFAOYSA-N |