8-bromo-3-(2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
8-bromo-3-(2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
8-bromo-3-(2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0083 |
| Compound Name: | 8-bromo-3-(2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 389.25 |
| Molecular Formula: | C18 H17 Br N2 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0245 |
| logD: | 4.0245 |
| logSw: | -4.218 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.406 |
| InChI Key: | HCBWVYGKMXDQQT-UHFFFAOYSA-N |