(2R*)-8-bromo-3-(3,5-dimethylphenyl)-10-methoxy-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-(3,5-dimethylphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-8-bromo-3-(3,5-dimethylphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0546 |
| Compound Name: | (2R*)-8-bromo-3-(3,5-dimethylphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(N[C@@H]2C[C@@]1(C)Oc1c2cc(cc1OC)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2989 |
| logD: | 5.2989 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.391 |
| InChI Key: | ZLWABCRWWWBVAL-JXFKEZNVSA-N |