AC1LUMED
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide|2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide|2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide|2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide|2-((4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE|2-[4-(4-bromophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenoxyphenyl )acetamide|650-451-8
| Molecular Formula | C27H20BrN5O2S |
|---|---|
| Molecular Weight | 557.0521 g/mol |
| LogP | 6.6149 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.0521 |
| Monoisotopic Mass | 557.0521 |
| Heavy Atoms | 36 |
| Complexity | 1443.809 |
Chemical Identifiers
| CAS Number | 477331-32-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5 |
Product Overview
AC1LUMED (CAS 477331-32-1), with molecular formula C27H20BrN5O2S and molecular weight 557.0521 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.