(2H-1,3-benzodioxol-5-yl)methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-6925 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl rel-(2R,6R)-2,4-dimethyl-3,6-dihydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H]2C[C@@](C)(N1)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9214 |
| logD: | 3.9184 |
| logSw: | -4.1516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.356 |
| InChI Key: | ZQVPPHHDCGMHHF-AOMKIAJQSA-N |