N-[(3-bromophenyl)methyl]-5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazole-2-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazole-2-carboxamide
N-[(3-bromophenyl)methyl]-5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F953-1128 |
| Compound Name: | N-[(3-bromophenyl)methyl]-5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazole-2-carboxamide |
| Molecular Weight: | 426.27 |
| Molecular Formula: | C20 H16 Br N3 O3 |
| Smiles: | Cc1ccc2c(c1)c(C)c(c1nnc(C(NCc3cccc(c3)[Br])=O)o1)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.5605 |
| logD: | 4.5605 |
| logSw: | -4.3424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.693 |
| InChI Key: | QKNLDRZHQJVBLK-UHFFFAOYSA-N |