4-[3-acetyl-5-(5-bromopyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-[3-acetyl-5-(5-bromopyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl 4-nitrobenzoate
4-[3-acetyl-5-(5-bromopyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | G642-0184 |
| Compound Name: | 4-[3-acetyl-5-(5-bromopyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl 4-nitrobenzoate |
| Molecular Weight: | 511.29 |
| Molecular Formula: | C22 H15 Br N4 O6 |
| Smiles: | CC(N1C(c2ccc(cc2)OC(c2ccc(cc2)[N+]([O-])=O)=O)OC(c2cc(cnc2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1659 |
| logD: | 4.1659 |
| logSw: | -4.1987 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.618 |
| InChI Key: | JAPMAXNHIDVBMQ-OAQYLSRUSA-N |