3-acetyl-2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methyl-4H-pyran-4-one
Chemical Structure Depiction of
3-acetyl-2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methyl-4H-pyran-4-one
3-acetyl-2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methyl-4H-pyran-4-one
Compound characteristics
| Compound ID: | 8017-7709 |
| Compound Name: | 3-acetyl-2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-methyl-4H-pyran-4-one |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C16 H15 N O5 |
| Smiles: | CC1=CC(C(=C(NCc2ccc3c(c2)OCO3)O1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3621 |
| logD: | 1.3613 |
| logSw: | -1.9875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.687 |
| InChI Key: | MZQYKGHAGRTHRH-UHFFFAOYSA-N |