2-(4-butoxyphenyl)-5-[4-(dimethylamino)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-[4-(dimethylamino)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2-(4-butoxyphenyl)-5-[4-(dimethylamino)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8006-2756 |
| Compound Name: | 2-(4-butoxyphenyl)-5-[4-(dimethylamino)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 516.68 |
| Molecular Formula: | C35 H36 N2 O2 |
| Smiles: | CCCCOc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)N(C)C)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.2221 |
| logD: | 8.2078 |
| logSw: | -6.8547 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.883 |
| InChI Key: | XKEMUEYVDIOLCB-UHFFFAOYSA-N |