5-(2H-1,3-benzodioxol-5-yl)-2-phenyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-phenyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(2H-1,3-benzodioxol-5-yl)-2-phenyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2641-1579 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-phenyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C30 H23 N O3 |
| Smiles: | C1C(CC(C2C(c3ccc4c(c3)OCO4)Nc3ccc4ccccc4c3C1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7635 |
| logD: | 6.7635 |
| logSw: | -7.3274 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.776 |
| InChI Key: | YDSDGVVXZWVWDR-UHFFFAOYSA-N |