(5-bromofuran-2-yl)(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)(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)(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: | C297-0041 |
| Compound Name: | (5-bromofuran-2-yl)(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C22 H17 Br N2 O3 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(o2)[Br])=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5418 |
| logD: | 4.5418 |
| logSw: | -4.5261 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.81 |
| InChI Key: | QCVLYJJDRWQZSH-UHFFFAOYSA-N |