3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid
Chemical Structure Depiction of
3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid
3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid
Compound characteristics
| Compound ID: | D143-0287 |
| Compound Name: | 3-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]propanoic acid |
| Molecular Weight: | 427.25 |
| Molecular Formula: | C21 H15 Br O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8987 |
| logD: | 2.4024 |
| logSw: | -4.5629 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.832 |
| InChI Key: | QCLNXCSEPQKIPZ-UHFFFAOYSA-N |