AC1MX2GU
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide|2-((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide|2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide|2-{5-[4-(tert-butyl)phenyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}-N-(4-phenox yphenyl)acetamide|N-(4-phenoxyphenyl)-2-[[4-prop-2-enyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C29H30N4O2S |
|---|---|
| Molecular Weight | 498.20895 g/mol |
| LogP | 6.9517 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.20895 |
| Monoisotopic Mass | 498.20895 |
| Heavy Atoms | 36 |
| Complexity | 1308.3988 |
Chemical Identifiers
| CAS Number | 862116-07-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
AC1MX2GU (CAS 862116-07-2), with molecular formula C29H30N4O2S and molecular weight 498.20895 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.