(8-chloro-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(furan-2-yl)methanone
Chemical Structure Depiction of
(8-chloro-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(furan-2-yl)methanone
(8-chloro-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(furan-2-yl)methanone
Compound characteristics
| Compound ID: | C297-0011 |
| Compound Name: | (8-chloro-2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(furan-2-yl)methanone |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C22 H17 Cl N2 O3 S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])N(C(c2ccco2)=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3314 |
| logD: | 4.3314 |
| logSw: | -4.7558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 31.4621 |
| InChI Key: | XGBOSEKNDIMYTA-UHFFFAOYSA-N |