5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-9095 |
| Compound Name: | 5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | CC1(C)CC2=C(C(c3cc(cc(c3O)[N+]([O-])=O)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4847 |
| logD: | 2.5783 |
| logSw: | -6.3633 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.873 |
| InChI Key: | ZTYLSXLXWOFNCZ-QHCPKHFHSA-N |