(2R*)-8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0078 |
| Compound Name: | (2R*)-8-chloro-2-methyl-3-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 356.85 |
| Molecular Formula: | C20 H21 Cl N2 O2 |
| Smiles: | CC(C)c1ccc(cc1)N1C(N[C@@H]2C[C@]1(C)Oc1ccc(cc12)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3759 |
| logD: | 5.3759 |
| logSw: | -6.1272 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.077 |
| InChI Key: | BQIJQUGKICFGMV-XLIONFOSSA-N |