3-{6-chloro-4-methyl-7-[(naphthalen-2-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{6-chloro-4-methyl-7-[(naphthalen-2-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{6-chloro-4-methyl-7-[(naphthalen-2-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-3428 |
| Compound Name: | 3-{6-chloro-4-methyl-7-[(naphthalen-2-yl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 422.86 |
| Molecular Formula: | C24 H19 Cl O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(c(cc12)[Cl])OCc1ccc2ccccc2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7906 |
| logD: | 3.2943 |
| logSw: | -5.864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.587 |
| InChI Key: | CEEQAUJNPFBEPG-UHFFFAOYSA-N |