AC1NSMVT
N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AK-968/40289970|N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|N'-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
| Molecular Formula | C36H33N7O4S |
|---|---|
| Molecular Weight | 659.23145 g/mol |
| LogP | 6.36362 |
| Topological Polar Surface Area | 117.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 659.23145 |
| Monoisotopic Mass | 659.23145 |
| Heavy Atoms | 48 |
| Complexity | 2017.6083 |
Chemical Identifiers
| CAS Number | 420105-40-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=CC=C6 |
Product Overview
AC1NSMVT (CAS 420105-40-4), with molecular formula C36H33N7O4S and molecular weight 659.23145 g/mol. IUPAC: N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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