5-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8004-8925 |
| Compound Name: | 5-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C31 H28 N2 O4 |
| Smiles: | Cc1cc(c(C)c(c1)[N+]([O-])=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)c3c(ccc4ccccc34)N2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2006 |
| logD: | 7.2006 |
| logSw: | -6.707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.412 |
| InChI Key: | ZJZQKLBVBCKJRW-PMERELPUSA-N |