2-{[2-methoxy-5-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[2-methoxy-5-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[2-methoxy-5-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4333-6065 |
| Compound Name: | 2-{[2-methoxy-5-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C33 H33 N O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(CN3C(c4ccccc4C3=O)=O)c2)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7662 |
| logD: | 4.7662 |
| logSw: | -4.731 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.281 |
| InChI Key: | ARRJUONPJDGWHC-UHFFFAOYSA-N |