8-bromo-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
8-bromo-5-(3,4-dimethylbenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
8-bromo-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: | C917-0117 |
| Compound Name: | 8-bromo-5-(3,4-dimethylbenzene-1-sulfonyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C20 H20 Br N O4 S |
| Smiles: | Cc1ccc(cc1C)S(C1C2CC(C)(NC1=O)Oc1ccc(cc12)[Br])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2141 |
| logD: | 4.2139 |
| logSw: | -4.4043 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.026 |
| InChI Key: | ULYLPVSVZUYLKA-UHFFFAOYSA-N |