AC1M3X1I
N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide|N-{[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
CAS: 694516-34-2
| Molecular Formula | C21H22FN5O3S |
|---|---|
| Molecular Weight | 443.14273 g/mol |
| LogP | 3.0137 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.14273 |
| Monoisotopic Mass | 443.14273 |
| Heavy Atoms | 31 |
| Complexity | 1055.4237 |
Chemical Identifiers
| CAS Number | 694516-34-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F |
Product Overview
AC1M3X1I (CAS 694516-34-2), with molecular formula C21H22FN5O3S and molecular weight 443.14273 g/mol. IUPAC: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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