8-bromo-3-(4-ethoxyphenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-3-(4-ethoxyphenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-3-(4-ethoxyphenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1379 |
| Compound Name: | 8-bromo-3-(4-ethoxyphenyl)-2,11-dimethyl-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: | CCOc1ccc(cc1)N1C(NC2C(C)C1(C)Oc1ccc(cc12)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1634 |
| logD: | 5.1634 |
| logSw: | -5.1191 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.6358 |
| InChI Key: | CDYJOPUBMFPEPU-UHFFFAOYSA-N |