(2R*)-3-(3,4-dimethylphenyl)-8-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-3-(3,4-dimethylphenyl)-8-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-3-(3,4-dimethylphenyl)-8-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0483 |
| Compound Name: | (2R*)-3-(3,4-dimethylphenyl)-8-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C20 H22 N2 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(N[C@H]2C[C@]1(C)Oc1ccc(cc12)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5629 |
| logD: | 4.5629 |
| logSw: | -4.4865 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.621 |
| InChI Key: | XNEVVVLJXGCYFL-XLIONFOSSA-N |