dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate
Chemical Structure Depiction of
dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate
dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate
Compound characteristics
| Compound ID: | 0227-0597 |
| Compound Name: | dioctyl {[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino]methyl}phosphonate |
| Molecular Weight: | 606.74 |
| Molecular Formula: | C35 H47 N2 O5 P |
| Smiles: | CCCCCCCCOP(CNc1ccc2C(N(C(c3cccc1c23)=O)c1ccccc1)=O)(=O)OCCCCCCCC |
| Stereo: | ACHIRAL |
| logP: | 9.0451 |
| logD: | 9.0451 |
| logSw: | -6.3179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.435 |
| InChI Key: | IGHGJNVNSZEYKG-UHFFFAOYSA-N |