9-methoxy-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
9-methoxy-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
9-methoxy-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0201 |
| Compound Name: | 9-methoxy-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-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: | CC(C)c1ccc(cc1)S(C1C2CC(C)(NC1=O)Oc1cc(ccc12)OC)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9652 |
| logD: | 3.965 |
| logSw: | -4.2159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.57 |
| InChI Key: | QZSMVAMTVKPMEF-UHFFFAOYSA-N |