N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-0648 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C20 H17 N O5 |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6554 |
| logD: | 3.6554 |
| logSw: | -3.8627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.27 |
| InChI Key: | SHXSNBATJYQMBO-UHFFFAOYSA-N |