4-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid
Chemical Structure Depiction of
4-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid
4-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid
Compound characteristics
| Compound ID: | Y041-9950 |
| Compound Name: | 4-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C24 H20 Br N O6 |
| Smiles: | CC1=C(CC(NCCCC(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6563 |
| logD: | 0.8354 |
| logSw: | -3.9927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.145 |
| InChI Key: | WFPMGCHGHZPQGM-UHFFFAOYSA-N |