3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-3429 |
| Compound Name: | 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 451.7 |
| Molecular Formula: | C20 H16 Br Cl O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(c(cc12)[Cl])OCc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0021 |
| logD: | 2.5058 |
| logSw: | -4.8069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.858 |
| InChI Key: | LCRKCCIXZLXLHS-UHFFFAOYSA-N |