N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Compound characteristics
| Compound ID: | Y043-2406 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C25 H27 N O7 |
| Smiles: | C/C(CCC(NCc1ccc2c(c1)OCO2)=O)=C\Cc1c(c2C(=O)OCc2c(C)c1OC)O |
| Stereo: | ACHIRAL |
| logP: | 4.5532 |
| logD: | 4.5526 |
| logSw: | -4.5663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.323 |
| InChI Key: | BYXTWTBKTOOIJU-UHFFFAOYSA-N |