AC1LPFQN
N-[[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide
Also Known As: N-[[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide|N-{[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
CAS: 694501-56-9
| Molecular Formula | C22H24ClN5O4S |
|---|---|
| Molecular Weight | 489.12375 g/mol |
| LogP | 3.45492 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.12375 |
| Monoisotopic Mass | 489.12375 |
| Heavy Atoms | 33 |
| Complexity | 1167.6831 |
Chemical Identifiers
| CAS Number | 694501-56-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
AC1LPFQN (CAS 694501-56-9), with molecular formula C22H24ClN5O4S and molecular weight 489.12375 g/mol. IUPAC: N-[[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide.
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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