AC1M1ZLE
methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0090|methyl 2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate|methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl {[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl 2-((5-((3,4-dimethoxybenzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C21H21FN4O5S |
|---|---|
| Molecular Weight | 460.12167 g/mol |
| LogP | 2.6187 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.12167 |
| Monoisotopic Mass | 460.12167 |
| Heavy Atoms | 32 |
| Complexity | 1104.0695 |
Chemical Identifiers
| CAS Number | 689750-91-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)OC)OC |
Product Overview
AC1M1ZLE (CAS 689750-91-2), with molecular formula C21H21FN4O5S and molecular weight 460.12167 g/mol. IUPAC: methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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