N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D370-0483 |
| Compound Name: | N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C21 H17 N3 O5 |
| Smiles: | [H]N(C(C1=Cc2ccccc2OC1=O)=O)c1c(c2ccc(c(C)c2)OCC)non1 |
| Stereo: | ACHIRAL |
| logP: | 4.388 |
| logD: | 4.0992 |
| logSw: | -4.4797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.218 |
| InChI Key: | DTYLPBCLGDJLHM-UHFFFAOYSA-N |