AC1NDX5U
N-[[4-(3-chlorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: Oprea1_055329|F0508-2958|N-((4-(3-chlorophenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide|N-{[4-(3-chlorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide|N-[[4-(3-chlorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| 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 | 1250.7855 |
Chemical Identifiers
| CAS Number | 391950-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=NC=CS4 |
Product Overview
AC1NDX5U (CAS 391950-48-4), with molecular formula C22H19ClN6O3S2 and molecular weight 514.0649 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
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