5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0027 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C14 H13 N O6 |
| Smiles: | CC1(C)OC(C(=CNc2ccc3c(c2)OCO3)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6716 |
| logD: | 1.2548 |
| logSw: | -2.0901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.161 |
| InChI Key: | HXEOGNQVOPBZRB-UHFFFAOYSA-N |