3-(4-bromo-3-methylphenyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(4-bromo-3-methylphenyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(4-bromo-3-methylphenyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0182 |
| Compound Name: | 3-(4-bromo-3-methylphenyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 433.37 |
| Molecular Formula: | C20 H21 Br N2 O2 S |
| Smiles: | CCOc1cccc2C3CC(C)(N(C(N3)=S)c3ccc(c(C)c3)[Br])Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3551 |
| logD: | 5.3551 |
| logSw: | -5.4456 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.8089 |
| InChI Key: | GXYPTGIJFCISQL-UHFFFAOYSA-N |