AC1O0YMQ
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide|(Z)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-oxoindolin-3-ylidene)acetohydrazide|2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-(2-oxoindol-3-yl)acetohydrazide|2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}-N-[(2 -oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]acetamide
| Molecular Formula | C29H28N6O3S |
|---|---|
| Molecular Weight | 540.19434 g/mol |
| LogP | 6.8299 |
| Topological Polar Surface Area | 117.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.19434 |
| Monoisotopic Mass | 540.19434 |
| Heavy Atoms | 39 |
| Complexity | 1647.6794 |
Chemical Identifiers
| CAS Number | 488137-74-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N=NC4=C(NC5=CC=CC=C54)O |
Product Overview
AC1O0YMQ (CAS 488137-74-2), with molecular formula C29H28N6O3S and molecular weight 540.19434 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.