5-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2038-0071 |
| Compound Name: | 5-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 512.02 |
| Molecular Formula: | C32 H27 Cl F N O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OCc3c(cccc3[Cl])F)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.514 |
| logD: | 7.514 |
| logSw: | -6.731 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.159 |
| InChI Key: | OWAHOZWZWWNJAL-HKBQPEDESA-N |