2,2-dimethyl-5-(3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-(3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2155-0022 |
| Compound Name: | 2,2-dimethyl-5-(3-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.474 |
| logD: | 5.474 |
| logSw: | -6.677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.313 |
| InChI Key: | KPAWWHQQBOQJPI-DEOSSOPVSA-N |