N-[2-(3-fluorophenyl)ethyl]-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-[2-(3-fluorophenyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
N-[2-(3-fluorophenyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Compound characteristics
| Compound ID: | Y043-3743 |
| Compound Name: | N-[2-(3-fluorophenyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C25 H28 F N O5 |
| Smiles: | C/C(CCC(NCCc1cccc(c1)F)=O)=C\Cc1c(c2C(=O)OCc2c(C)c1OC)O |
| Stereo: | ACHIRAL |
| logP: | 4.4811 |
| logD: | 4.4805 |
| logSw: | -4.5242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.049 |
| InChI Key: | XPHIJRGTMUOGAZ-VIZOYTHASA-N |