rel-(2R,6R)-9-methoxy-2-methyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
rel-(2R,6R)-9-methoxy-2-methyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
rel-(2R,6R)-9-methoxy-2-methyl-5-(4-methylbenzene-1-sulfonyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0057 |
| Compound Name: | rel-(2R,6R)-9-methoxy-2-methyl-5-(4-methylbenzene-1-sulfonyl)-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: | Cc1ccc(cc1)S(C1C(N[C@@]2(C)C[C@@H]1c1ccc(cc1O2)OC)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0504 |
| logD: | 3.0502 |
| logSw: | -3.6012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.57 |
| InChI Key: | ANISBDRBBPAZEJ-UHFFFAOYSA-N |