AC1M1ZLQ
methyl 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0094|methyl 2-((5-((4-(tert-butyl)benzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-[(5-{[(4-tert-butylphenyl)formamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|methyl 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS: 689751-11-9
| Molecular Formula | C23H25FN4O3S |
|---|---|
| Molecular Weight | 456.16315 g/mol |
| LogP | 3.899 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.16315 |
| Monoisotopic Mass | 456.16315 |
| Heavy Atoms | 32 |
| Complexity | 1089.9244 |
Chemical Identifiers
| CAS Number | 689751-11-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)OC |
Product Overview
AC1M1ZLQ (CAS 689751-11-9), with molecular formula C23H25FN4O3S and molecular weight 456.16315 g/mol. IUPAC: methyl 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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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