(2R*)-8-bromo-10-methoxy-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-8-bromo-10-methoxy-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-8-bromo-10-methoxy-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0529 |
| Compound Name: | (2R*)-8-bromo-10-methoxy-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 403.27 |
| Molecular Formula: | C19 H19 Br N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C(N[C@@H]2C[C@@]1(C)Oc1c2cc(cc1OC)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6871 |
| logD: | 4.6871 |
| logSw: | -4.4637 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.391 |
| InChI Key: | KVSMBNVRPLHWLA-BEFAXECRSA-N |