methyl {7-[2-(4-fluoroanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(4-fluoroanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(4-fluoroanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2563 |
| Compound Name: | methyl {7-[2-(4-fluoroanilino)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 399.37 |
| Molecular Formula: | C21 H18 F N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.973 |
| logD: | 2.9729 |
| logSw: | -3.5571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.116 |
| InChI Key: | KBHPXMAJTLZLJH-UHFFFAOYSA-N |