methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | E594-0111 |
| Compound Name: | methyl 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C20 H14 N2 O5 |
| Smiles: | Cc1ccccc1c1nc(C2=Cc3cc(ccc3OC2=O)C(=O)OC)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0427 |
| logD: | 4.0427 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.74 |
| InChI Key: | ODSPOPUGAPQTBX-UHFFFAOYSA-N |