N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | 8010-0042 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetamide |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C32 H33 N O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(cc2)OCC(Nc2ccc3c(c2)OCO3)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7821 |
| logD: | 4.782 |
| logSw: | -4.7487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.89 |
| InChI Key: | LFGAYBOYXQZYAR-UHFFFAOYSA-N |