5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-9091 |
| Compound Name: | 5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 477.36 |
| Molecular Formula: | C25 H21 Br N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[N+]([O-])=O)[Br])Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1816 |
| logD: | 6.1816 |
| logSw: | -6.7818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.012 |
| InChI Key: | XCJWVAZKIJAREC-DEOSSOPVSA-N |