3-(3-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0209 |
| Compound Name: | 3-(3-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 404.22 |
| Molecular Formula: | C17 H14 Br N3 O4 |
| Smiles: | CC12CC(c3cc(ccc3O2)[N+]([O-])=O)NC(N1c1cccc(c1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1845 |
| logD: | 4.1844 |
| logSw: | -4.572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.458 |
| InChI Key: | RNWBZSJFQLJKPG-UHFFFAOYSA-N |