2,2-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
Compound ID: | 8009-5890 |
Compound Name: | 2,2-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
Molecular Weight: | 463.54 |
Molecular Formula: | C29 H25 N3 O3 |
Smiles: | CC1(C)CC2=C(C(c3cccn3c3cccc(c3)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.3341 |
logD: | 6.3341 |
logSw: | -6.6955 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.362 |
InChI Key: | JKBAOVBIZRCOFX-NDEPHWFRSA-N |