4-(4-acetyl-5-{1-benzamido-2-[4-(dimethylamino)phenyl]ethenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,6-dibromo-1,3-phenylene diacetate
Chemical Structure Depiction of
4-(4-acetyl-5-{1-benzamido-2-[4-(dimethylamino)phenyl]ethenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,6-dibromo-1,3-phenylene diacetate
4-(4-acetyl-5-{1-benzamido-2-[4-(dimethylamino)phenyl]ethenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,6-dibromo-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | G642-6492 |
| Compound Name: | 4-(4-acetyl-5-{1-benzamido-2-[4-(dimethylamino)phenyl]ethenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2,6-dibromo-1,3-phenylene diacetate |
| Molecular Weight: | 728.39 |
| Molecular Formula: | C31 H28 Br2 N4 O7 |
| Smiles: | CC(N1C(/C(=C/c2ccc(cc2)N(C)C)NC(c2ccccc2)=O)OC(c2cc(c(c(c2OC(C)=O)[Br])OC(C)=O)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2919 |
| logD: | 5.2777 |
| logSw: | -5.4022 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.829 |
| InChI Key: | APGXEAHYFSEMLT-MTXGHEBJSA-N |