AC1N6D5I
2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: Oprea1_464239|F0508-3156|2-(4-chlorophenoxy)-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)acetamide|2-(4-chlorophenoxy)-N-{[4-phenyl-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide|2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
| Molecular Formula | C22H19ClN6O3S2 |
|---|---|
| Molecular Weight | 514.0649 g/mol |
| LogP | 3.8032 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.0649 |
| Monoisotopic Mass | 514.0649 |
| Heavy Atoms | 34 |
| Complexity | 1233.5355 |
Chemical Identifiers
| CAS Number | 391950-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)COC4=CC=C(C=C4)Cl |
Product Overview
AC1N6D5I (CAS 391950-98-4), with molecular formula C22H19ClN6O3S2 and molecular weight 514.0649 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.
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