ethyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Chemical Structure Depiction of
ethyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
ethyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Compound characteristics
Compound ID: | 8018-8604 |
Compound Name: | ethyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate |
Molecular Weight: | 273.33 |
Molecular Formula: | C16 H19 N O3 |
Smiles: | CCOC(C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.9266 |
logD: | 2.9211 |
logSw: | -3.2696 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.137 |
InChI Key: | QMMIVPWPXRYUQF-LRDDRELGSA-N |