3,3-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Chemical Structure Depiction of
3,3-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
3,3-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Compound characteristics
| Compound ID: | 4463-0190 |
| Compound Name: | 3,3-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C29 H25 N3 O3 |
| Smiles: | CC1(C)CC2C(c3cccn3c3cccc(c3)[N+]([O-])=O)Nc3ccc4ccccc4c3C=2C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2993 |
| logD: | 6.2993 |
| logSw: | -6.6955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.362 |
| InChI Key: | YOFOPOMZJDOQTJ-MUUNZHRXSA-N |