AC1M1ZM5
methyl 2-[[4-(4-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0102|methyl 2-{[4-(4-methoxyphenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl 2-((4-(4-methoxyphenyl)-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-[[4-(4-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.13617 g/mol |
| LogP | 2.77942 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13617 |
| Monoisotopic Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1033.7406 |
Chemical Identifiers
| CAS Number | 689751-47-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)OC |
Product Overview
AC1M1ZM5 (CAS 689751-47-1), with molecular formula C21H22N4O4S and molecular weight 426.13617 g/mol. IUPAC: methyl 2-[[4-(4-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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