2-(4-butoxyphenyl)-5-(4-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-(4-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2-(4-butoxyphenyl)-5-(4-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 0820-0888 |
| Compound Name: | 2-(4-butoxyphenyl)-5-(4-nitrophenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C33 H30 N2 O4 |
| Smiles: | CCCCOc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.0577 |
| logD: | 8.0577 |
| logSw: | -6.82 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.46 |
| InChI Key: | SHTHKAMHJXRPQD-UHFFFAOYSA-N |