3-(4-ethoxyphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(4-ethoxyphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2807 |
| Compound Name: | 3-(4-ethoxyphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | CCc1ccc2c(c1)C1CC(C)(N(C(N1)=S)c1ccc(cc1)OCC)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8956 |
| logD: | 4.8956 |
| logSw: | -4.6521 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.038 |
| InChI Key: | QEBDTKDQELGZCX-UHFFFAOYSA-N |