AC1NVQ90
2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
Also Known As: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide|2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide|2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3-methoxyphenyl)methylidene]acetohydrazide|N-[(1Z)-2-(3-methoxyphenyl)-1-azavinyl]-2-{5-[4-(tert-butyl)phenyl]-4-(4-methy lphenyl)(1,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C29H31N5O2S |
|---|---|
| Molecular Weight | 513.21985 g/mol |
| LogP | 5.79122 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.21985 |
| Monoisotopic Mass | 513.21985 |
| Heavy Atoms | 37 |
| Complexity | 1387.3218 |
Chemical Identifiers
| CAS Number | 488709-12-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C\C3=CC(=CC=C3)OC)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AC1NVQ90 (CAS 488709-12-2), with molecular formula C29H31N5O2S and molecular weight 513.21985 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.