4-butyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-1-benzopyran-2-one
4-butyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1728 |
| Compound Name: | 4-butyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.4 |
| Molecular Formula: | C22 H21 F O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)cc(c12)OCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0321 |
| logD: | 5.0321 |
| logSw: | -4.9416 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.207 |
| InChI Key: | PLMDPDQYDSYHTC-UHFFFAOYSA-N |