2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate
Chemical Structure Depiction of
2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate
2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate
Compound characteristics
| Compound ID: | G642-2116 |
| Compound Name: | 2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate |
| Molecular Weight: | 651.27 |
| Molecular Formula: | C24 H21 Br2 N5 O7 |
| Smiles: | CC(N1C(c2ccc(c(Cn3c(C)c(c(n3)[N+]([O-])=O)[Br])c2)OC)OC(c2cc(ccc2OC(C)=O)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1799 |
| logD: | 4.1799 |
| logSw: | -4.5718 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.739 |
| InChI Key: | DBNKTJXPNPZQNJ-XMMPIXPASA-N |