rel-(1R,2R,5R,6R)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Chemical Structure Depiction of
rel-(1R,2R,5R,6R)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
rel-(1R,2R,5R,6R)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Compound characteristics
| Compound ID: | 8008-7487 |
| Compound Name: | rel-(1R,2R,5R,6R)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene |
| Molecular Weight: | 293.32 |
| Molecular Formula: | C17 H15 N3 O2 |
| Smiles: | C[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc(cc3)[N+]([O-])=O)N12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3027 |
| logD: | 4.2901 |
| logSw: | -4.3663 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.805 |
| InChI Key: | ZRGQAPFEFBZKGJ-BDYFQFQLSA-N |