2,2-dimethyl-5-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8006-6975 |
| Compound Name: | 2,2-dimethyl-5-[5-(3-methyl-4-nitrophenyl)furan-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C30 H26 N2 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)c3c(ccc4ccccc34)N2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1248 |
| logD: | 7.1248 |
| logSw: | -6.8143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.412 |
| InChI Key: | DFJWZGFVBVGXSZ-LJAQVGFWSA-N |