5-(3,4-dimethylbenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
5-(3,4-dimethylbenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
5-(3,4-dimethylbenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0105 |
| Compound Name: | 5-(3,4-dimethylbenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | Cc1ccc(cc1C)S(C1C2CC(C)(NC1=O)Oc1cc(ccc12)OC)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5476 |
| logD: | 3.5475 |
| logSw: | -3.94 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.57 |
| InChI Key: | RXWWXKRADGHTTN-UHFFFAOYSA-N |