ethyl 8-methoxy-3-(2-methoxyphenyl)-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-methoxy-3-(2-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 8-methoxy-3-(2-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0116 |
| Compound Name: | ethyl 8-methoxy-3-(2-methoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H24 N2 O5 S |
| Smiles: | CCOC(C1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1ccccc1OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8025 |
| logD: | 3.8025 |
| logSw: | -4.0894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.139 |
| InChI Key: | JPTASSXJWSXDBB-UHFFFAOYSA-N |