rel-(2R,6R)-5-(3,4-dimethylbenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
rel-(2R,6R)-5-(3,4-dimethylbenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
rel-(2R,6R)-5-(3,4-dimethylbenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0097 |
| Compound Name: | rel-(2R,6R)-5-(3,4-dimethylbenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 371.45 |
| Molecular Formula: | C20 H21 N O4 S |
| Smiles: | Cc1ccc(cc1C)S(C1C(N[C@@]2(C)C[C@@H]1c1ccccc1O2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4437 |
| logD: | 3.4436 |
| logSw: | -3.8713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.026 |
| InChI Key: | SDWYCGHVGZLGBK-UHFFFAOYSA-N |