AC1Q2TN5
2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide|2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide|2-[[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide|2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide|2-[5-(3-chlorophenyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-N-(4-ethylphe nyl)acetamide
| Molecular Formula | C23H21ClN4O2S |
|---|---|
| Molecular Weight | 452.10736 g/mol |
| LogP | 5.533 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.10736 |
| Monoisotopic Mass | 452.10736 |
| Heavy Atoms | 31 |
| Complexity | 1156.8054 |
Chemical Identifiers
| CAS Number | 899412-07-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl |
Product Overview
AC1Q2TN5 (CAS 899412-07-8), with molecular formula C23H21ClN4O2S and molecular weight 452.10736 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.