2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile
Chemical Structure Depiction of
2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile
2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | 2039-0634 |
| Compound Name: | 2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]-5-nitrobenzonitrile |
| Molecular Weight: | 545.6 |
| Molecular Formula: | C33 H27 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)Oc3ccc(cc3C#N)[N+]([O-])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6779 |
| logD: | 6.6779 |
| logSw: | -6.7324 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.921 |
| InChI Key: | LFGLALNIFBTZBB-YTTGMZPUSA-N |