4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 2-chloro-4,5-difluorobenzoate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 2-chloro-4,5-difluorobenzoate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 2-chloro-4,5-difluorobenzoate
Compound characteristics
| Compound ID: | 2039-0561 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 2-chloro-4,5-difluorobenzoate |
| Molecular Weight: | 544 |
| Molecular Formula: | C32 H24 Cl F2 N O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OC(c3cc(c(cc3[Cl])F)F)=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7002 |
| logD: | 7.7002 |
| logSw: | -6.8096 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.31 |
| InChI Key: | RWLKANWKVYGUMQ-PMERELPUSA-N |