ethyl 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-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-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0718 |
| Compound Name: | ethyl 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C24 H27 Br N2 O5 S |
| Smiles: | CCOC(C1C2c3cc(ccc3OC1(C)N(CCc1ccc(c(c1)OC)OC)C(N2)=S)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7698 |
| logD: | 4.7698 |
| logSw: | -4.5281 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.117 |
| InChI Key: | UBXJZLXJTHGCQT-UHFFFAOYSA-N |