ethyl 8-chloro-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 8-chloro-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8-chloro-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-2211 |
| Compound Name: | ethyl 8-chloro-2-methyl-4-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 470.9 |
| Molecular Formula: | C21 H18 Cl F3 N2 O3 S |
| Smiles: | CCOC(C1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1cccc(c1)C(F)(F)F)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4071 |
| logD: | 5.4071 |
| logSw: | -5.9331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.266 |
| InChI Key: | SXGUSADAMIVESM-UHFFFAOYSA-N |