5-[2,4-bis(4-methylpiperazin-1-yl)-5-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[2,4-bis(4-methylpiperazin-1-yl)-5-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[2,4-bis(4-methylpiperazin-1-yl)-5-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8007-3884 |
| Compound Name: | 5-[2,4-bis(4-methylpiperazin-1-yl)-5-nitrophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 594.76 |
| Molecular Formula: | C35 H42 N6 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(cc3N3CCN(C)CC3)N3CCN(C)CC3)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3142 |
| logD: | 4.1363 |
| logSw: | -6.4197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.269 |
| InChI Key: | FQUKFMFDNFEEMA-UMSFTDKQSA-N |