2,2-dimethyl-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2039-0547 |
| Compound Name: | 2,2-dimethyl-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C30 H32 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[N+]([O-])=O)N3CCN(C)CC3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2541 |
| logD: | 4.7943 |
| logSw: | -6.2343 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.641 |
| InChI Key: | OZPHOUWOQGNFCA-LJAQVGFWSA-N |