(2R*)-8-bromo-3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-8-bromo-3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-8-bromo-3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0096 |
| Compound Name: | (2R*)-8-bromo-3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 387.27 |
| Molecular Formula: | C19 H19 Br N2 O2 |
| Smiles: | Cc1cccc(c1C)N1C(N[C@H]2C[C@]1(C)Oc1ccc(cc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1366 |
| logD: | 5.1366 |
| logSw: | -5.1452 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.776 |
| InChI Key: | QHBCAILMONALEB-KXBFYZLASA-N |