AC1MH5YA
ethyl 4-[[2-[[5-[1-[(4-chlorobenzoyl)amino]-2-methylpropyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({[5-(1-{[(4-chlorophenyl)carbonyl]amino}-2-methylpropyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|ethyl 4-(2-((5-(1-(4-chlorobenzamido)-2-methylpropyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-[[2-[[5-[1-[(4-chlorobenzoyl)amino]-2-methylpropyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS: 694475-67-7
| Molecular Formula | C25H28ClN5O4S |
|---|---|
| Molecular Weight | 529.155 g/mol |
| LogP | 4.5031 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.155 |
| Monoisotopic Mass | 529.155 |
| Heavy Atoms | 36 |
| Complexity | 1212.1925 |
Chemical Identifiers
| CAS Number | 694475-67-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AC1MH5YA (CAS 694475-67-7), with molecular formula C25H28ClN5O4S and molecular weight 529.155 g/mol. IUPAC: ethyl 4-[[2-[[5-[1-[(4-chlorobenzoyl)amino]-2-methylpropyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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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