3,3-dimethyl-5-[2-(2-nitrophenyl)ethenyl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Chemical Structure Depiction of
3,3-dimethyl-5-[2-(2-nitrophenyl)ethenyl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
3,3-dimethyl-5-[2-(2-nitrophenyl)ethenyl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Compound characteristics
| Compound ID: | 4463-0199 |
| Compound Name: | 3,3-dimethyl-5-[2-(2-nitrophenyl)ethenyl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C27 H24 N2 O3 |
| Smiles: | CC1(C)CC2C(/C=C/c3ccccc3[N+]([O-])=O)Nc3ccc4ccccc4c3C=2C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0191 |
| logD: | 6.0191 |
| logSw: | -6.782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.118 |
| InChI Key: | IYGRCVQNNUUTOS-NRFANRHFSA-N |