1-[2-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-2117 |
| Compound Name: | 1-[2-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 593.23 |
| Molecular Formula: | C22 H19 Br2 N5 O5 |
| Smiles: | CC(N1C(c2ccc(c(Cn3c(C)c(c(n3)[N+]([O-])=O)[Br])c2)OC)OC(c2ccc(cc2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6659 |
| logD: | 4.6659 |
| logSw: | -4.6402 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.901 |
| InChI Key: | JRMMOBRULSNZAP-JOCHJYFZSA-N |