methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Chemical Structure Depiction of
methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-6917 |
| Compound Name: | methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate |
| Molecular Weight: | 259.3 |
| Molecular Formula: | C15 H17 N O3 |
| Smiles: | CC1=C(C(=O)OC)[C@H]2C[C@@](C)(N1)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.486 |
| logD: | 2.4806 |
| logSw: | -2.9184 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.557 |
| InChI Key: | OAGWDCDAJWPANW-NHYWBVRUSA-N |