3-acetyl-2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-4H-pyran-4-one
Chemical Structure Depiction of
3-acetyl-2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-4H-pyran-4-one
3-acetyl-2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-4H-pyran-4-one
Compound characteristics
| Compound ID: | 8013-3999 |
| Compound Name: | 3-acetyl-2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-4H-pyran-4-one |
| Molecular Weight: | 287.27 |
| Molecular Formula: | C15 H13 N O5 |
| Smiles: | CC1=CC(C(=C(Nc2ccc3c(c2)OCO3)O1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7823 |
| logD: | 1.1077 |
| logSw: | -2.2848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.364 |
| InChI Key: | CLNZDFULOJCHTC-UHFFFAOYSA-N |