AC1NNQGJ
N-(2,4-dimethylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3057/0129137|N-(2,4-dimethylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|644-683-9|N-(2,4-DIMETHYLPHENYL)-2-((4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE|N-(2,4-Dimethylphenyl)-2-((4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(2,4-dimethylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C27H28N4O2S |
|---|---|
| Molecular Weight | 472.1933 g/mol |
| LogP | 5.81078 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.1933 |
| Monoisotopic Mass | 472.1933 |
| Heavy Atoms | 34 |
| Complexity | 1301.4904 |
Chemical Identifiers
| CAS Number | 539809-00-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)C)C)COC4=CC=CC=C4)C |
Product Overview
AC1NNQGJ (CAS 539809-00-2), with molecular formula C27H28N4O2S and molecular weight 472.1933 g/mol. IUPAC: N-(2,4-dimethylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.