AC1NO84P
5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one
Also Known As: KS-000031NM|4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one|12T-0299|5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one|4-[4-(benzyloxy)phenyl]-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one|4-[4-(benzyloxy)phenyl]-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one
| Molecular Formula | C23H20N4O4 |
|---|---|
| Molecular Weight | 416.14847 g/mol |
| LogP | 3.87792 |
| Topological Polar Surface Area | 92.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.14847 |
| Monoisotopic Mass | 416.14847 |
| Heavy Atoms | 31 |
| Complexity | 1243.7385 |
Chemical Identifiers
| CAS Number | 860786-69-2 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AC1NO84P (CAS 860786-69-2), with molecular formula C23H20N4O4 and molecular weight 416.14847 g/mol. IUPAC: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one.
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