AC1LQ3OH
N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
Also Known As: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide|N-{[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
CAS: 694472-96-3
| Molecular Formula | C23H27N5O3S |
|---|---|
| Molecular Weight | 453.18347 g/mol |
| LogP | 3.66592 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.18347 |
| Monoisotopic Mass | 453.18347 |
| Heavy Atoms | 32 |
| Complexity | 1048.4988 |
Chemical Identifiers
| CAS Number | 694472-96-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)CNC(=O)C3=CC=C(C=C3)C |
Product Overview
AC1LQ3OH (CAS 694472-96-3), with molecular formula C23H27N5O3S and molecular weight 453.18347 g/mol. IUPAC: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide.
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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