5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2367-1207 |
| Compound Name: | 5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 588.58 |
| Molecular Formula: | C33 H27 F3 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5987 |
| logD: | 7.5987 |
| logSw: | -6.8194 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.564 |
| InChI Key: | RAGIHZKBHTUTIA-HKBQPEDESA-N |