methyl 2-oxo-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 2-oxo-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-6-carboxylate
methyl 2-oxo-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | E594-0270 |
| Compound Name: | methyl 2-oxo-3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C17 H10 N2 O5 S |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)c2nc(c3cccs3)no2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6862 |
| logD: | 3.6862 |
| logSw: | -4.1931 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.758 |
| InChI Key: | ZRPAPSZMMVSGDG-UHFFFAOYSA-N |