5-(4-bromobenzene-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-(4-bromobenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
5-(4-bromobenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0345 |
| Compound Name: | 5-(4-bromobenzene-1-sulfonyl)-9-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 452.32 |
| Molecular Formula: | C19 H18 Br N O5 S |
| Smiles: | CC12CC(C(C(N1)=O)S(c1ccc(cc1)[Br])(=O)=O)c1ccc(cc1O2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4609 |
| logD: | 3.4607 |
| logSw: | -4.0013 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.57 |
| InChI Key: | IULBRHQCSKTCEL-UHFFFAOYSA-N |