AC1MGQ6G
2-bromo-N-[[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-bromo-N-[[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide|2-bromo-N-{[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
CAS: 823830-54-2
| Molecular Formula | C21H22BrN5O2S |
|---|---|
| Molecular Weight | 487.06775 g/mol |
| LogP | 3.85524 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.06775 |
| Monoisotopic Mass | 487.06775 |
| Heavy Atoms | 30 |
| Complexity | 1083.0087 |
Chemical Identifiers
| CAS Number | 823830-54-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3Br)C |
Product Overview
AC1MGQ6G (CAS 823830-54-2), with molecular formula C21H22BrN5O2S and molecular weight 487.06775 g/mol. IUPAC: 2-bromo-N-[[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]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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