AC1LQ6KM
2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AB00111193-01|2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide|2-chloro-N-{4-[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
CAS: 429642-50-2
| Molecular Formula | C25H22ClN5O2S |
|---|---|
| Molecular Weight | 491.1183 g/mol |
| LogP | 5.42702 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1183 |
| Monoisotopic Mass | 491.1183 |
| Heavy Atoms | 34 |
| Complexity | 1320.1527 |
Chemical Identifiers
| CAS Number | 429642-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
AC1LQ6KM (CAS 429642-50-2), with molecular formula C25H22ClN5O2S and molecular weight 491.1183 g/mol. IUPAC: 2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
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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