ethyl 8,10-dichloro-3-(2,6-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 8,10-dichloro-3-(2,6-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8,10-dichloro-3-(2,6-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0137 |
| Compound Name: | ethyl 8,10-dichloro-3-(2,6-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 465.4 |
| Molecular Formula: | C22 H22 Cl2 N2 O3 S |
| Smiles: | CCOC(C1C2c3cc(cc(c3OC1(C)N(C(N2)=S)c1c(C)cccc1C)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0347 |
| logD: | 6.0347 |
| logSw: | -6.1143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.348 |
| InChI Key: | JTRWDFUTDCLBKS-UHFFFAOYSA-N |