3-(4-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(4-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-0211 |
| Compound Name: | 3-(4-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 359.22 |
| Molecular Formula: | C17 H15 Br N2 O2 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2153 |
| logD: | 4.2153 |
| logSw: | -4.4809 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.077 |
| InChI Key: | MUNYKKGQXDJTRI-UHFFFAOYSA-N |