2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid
Chemical Structure Depiction of
2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid
2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetamido}butanoic acid
Compound characteristics
| Compound ID: | Y040-4315 |
| Compound Name: | 2-{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: | CCC(C(O)=O)NC(CC1=C(C)c2cc3c(coc3cc2OC1=O)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8722 |
| logD: | 0.2544 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.958 |
| InChI Key: | PGHHRZUDMKIHKE-IBGZPJMESA-N |