5-(4-hydroxy-3-methoxy-2-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(4-hydroxy-3-methoxy-2-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(4-hydroxy-3-methoxy-2-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1809-0362 |
| Compound Name: | 5-(4-hydroxy-3-methoxy-2-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C26 H24 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3[N+]([O-])=O)OC)O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.302 |
| logD: | 5.2005 |
| logSw: | -6.1733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.977 |
| InChI Key: | UQLVLFWQFRDLSF-QHCPKHFHSA-N |