5-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Chemical Structure Depiction of
5-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
5-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Compound characteristics
| Compound ID: | 8006-4045 |
| Compound Name: | 5-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C29 H23 Cl N2 O4 |
| Smiles: | CC1(C)CC2C(c3ccc(c4cc(ccc4[Cl])[N+]([O-])=O)o3)Nc3ccc4ccccc4c3C=2C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1162 |
| logD: | 7.1162 |
| logSw: | -6.7517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.713 |
| InChI Key: | YGICZJQAQJKVDG-MUUNZHRXSA-N |