2,2-dimethyl-5-[3-(pentafluorophenoxy)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-[3-(pentafluorophenoxy)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-[3-(pentafluorophenoxy)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2367-1224 |
| Compound Name: | 2,2-dimethyl-5-[3-(pentafluorophenoxy)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 535.51 |
| Molecular Formula: | C31 H22 F5 N O2 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)Oc3c(c(c(c(c3F)F)F)F)F)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7262 |
| logD: | 7.7262 |
| logSw: | -7.0864 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.853 |
| InChI Key: | NEVJFVZKAODIFW-LJAQVGFWSA-N |