5-(3,4-dimethylbenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
5-(3,4-dimethylbenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
5-(3,4-dimethylbenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
Compound ID: | C917-0125 |
Compound Name: | 5-(3,4-dimethylbenzene-1-sulfonyl)-8-methoxy-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
Molecular Weight: | 415.51 |
Molecular Formula: | C22 H25 N O5 S |
Smiles: | Cc1ccc(cc1C)S(C1C2CC(C)(N(C)C1=O)Oc1ccc(cc12)OC)(=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5757 |
logD: | 3.5753 |
logSw: | -3.9562 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 58.805 |
InChI Key: | VNXZQQDHECMJME-UHFFFAOYSA-N |