5-(5-bromofuran-2-carbonyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
5-(5-bromofuran-2-carbonyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
5-(5-bromofuran-2-carbonyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C298-0042 |
| Compound Name: | 5-(5-bromofuran-2-carbonyl)-2-methyl-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C22 H17 Br N2 O4 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(o2)[Br])=O)C(N1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3125 |
| logD: | 4.3125 |
| logSw: | -4.5449 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.117 |
| InChI Key: | XSJGWBMCQAQJBO-UHFFFAOYSA-N |