methyl 2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-6-carboxylate
methyl 2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | E594-0003 |
| Compound Name: | methyl 2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 348.31 |
| Molecular Formula: | C19 H12 N2 O5 |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)c2nc(c3ccccc3)no2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9197 |
| logD: | 3.9197 |
| logSw: | -4.2496 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.74 |
| InChI Key: | TVNXGAKOANIGMA-UHFFFAOYSA-N |