rel-(2R,6R)-5-(benzenesulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
rel-(2R,6R)-5-(benzenesulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
rel-(2R,6R)-5-(benzenesulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0029 |
| Compound Name: | rel-(2R,6R)-5-(benzenesulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 387.45 |
| Molecular Formula: | C20 H21 N O5 S |
| Smiles: | C[C@@]12C[C@@H](C(C(N1C)=O)S(c1ccccc1)(=O)=O)c1cc(ccc1O2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4701 |
| logD: | 2.4697 |
| logSw: | -3.1722 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.805 |
| InChI Key: | AFFSTJFSFDKYPH-UHFFFAOYSA-N |