N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D370-0071 |
| Compound Name: | N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 412.2 |
| Molecular Formula: | C18 H10 Br N3 O4 |
| Smiles: | [H]N(C(C1=Cc2ccccc2OC1=O)=O)c1c(c2ccc(cc2)[Br])non1 |
| Stereo: | ACHIRAL |
| logP: | 4.2769 |
| logD: | 3.5021 |
| logSw: | -4.7444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.008 |
| InChI Key: | FIPNWPSGCGHMIL-UHFFFAOYSA-N |