5-[5-(3-chloro-4-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[5-(3-chloro-4-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[5-(3-chloro-4-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2038-0296 |
| Compound Name: | 5-[5-(3-chloro-4-nitrophenyl)furan-2-yl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C29 H23 Cl N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c4ccc(c(c4)[Cl])[N+]([O-])=O)o3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0714 |
| logD: | 7.0714 |
| logSw: | -6.693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.412 |
| InChI Key: | QLFBTXURPYNUCD-NDEPHWFRSA-N |