(5-bromofuran-2-yl)(10-methoxy-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
(5-bromofuran-2-yl)(10-methoxy-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone
(5-bromofuran-2-yl)(10-methoxy-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: | C297-0040 |
| Compound Name: | (5-bromofuran-2-yl)(10-methoxy-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C23 H19 Br N2 O4 S |
| Smiles: | CC12CC(c3cccc(c3O2)OC)N(C(c2ccc(o2)[Br])=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4675 |
| logD: | 4.4675 |
| logSw: | -4.5661 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 39.124 |
| InChI Key: | MTFRCGRATUWLNN-UHFFFAOYSA-N |