5-[3-methoxy-4-(pentafluorophenoxy)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[3-methoxy-4-(pentafluorophenoxy)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[3-methoxy-4-(pentafluorophenoxy)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8010-1568 |
| Compound Name: | 5-[3-methoxy-4-(pentafluorophenoxy)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 565.54 |
| Molecular Formula: | C32 H24 F5 N O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)Oc3c(c(c(c(c3F)F)F)F)F)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8573 |
| logD: | 7.8573 |
| logSw: | -7.0496 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.57 |
| InChI Key: | ZMTLNCODGAKUHY-PMERELPUSA-N |