(2R*)-8-bromo-2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-8-bromo-2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-8-bromo-2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0110 |
| Compound Name: | (2R*)-8-bromo-2-methyl-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C20 H21 Br N2 O5 |
| Smiles: | C[C@]12C[C@@H](c3cc(ccc3O2)[Br])NC(N1c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9268 |
| logD: | 3.9268 |
| logSw: | -4.1787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.055 |
| InChI Key: | GGUUAEOKKVATNS-XOBRGWDASA-N |