2,2-dimethyl-5-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1809-0087 |
| Compound Name: | 2,2-dimethyl-5-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 558.56 |
| Molecular Formula: | C32 H25 F3 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4541 |
| logD: | 7.4541 |
| logSw: | -6.9011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.847 |
| InChI Key: | PRKYDFWWPOZPJV-PMERELPUSA-N |