2,2-dimethyl-5-[5-nitro-2,4-di(piperidin-1-yl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-[5-nitro-2,4-di(piperidin-1-yl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-[5-nitro-2,4-di(piperidin-1-yl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8006-1646 |
| Compound Name: | 2,2-dimethyl-5-[5-nitro-2,4-di(piperidin-1-yl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 564.73 |
| Molecular Formula: | C35 H40 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(cc3N3CCCCC3)N3CCCCC3)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.678 |
| logD: | 7.678 |
| logSw: | -6.8393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.315 |
| InChI Key: | VPJCUCYVJLPQOY-UMSFTDKQSA-N |