AC1MH4HG
propan-2-yl 3-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: propan-2-yl 3-[({[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|isopropyl 3-(2-((5-((3,4-dimethoxybenzamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|propan-2-yl 3-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C26H31N5O6S |
|---|---|
| Molecular Weight | 541.1995 g/mol |
| LogP | 3.5412 |
| Topological Polar Surface Area | 133.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 541.1995 |
| Monoisotopic Mass | 541.1995 |
| Heavy Atoms | 38 |
| Complexity | 1292.8832 |
Chemical Identifiers
| CAS Number | 713096-65-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
AC1MH4HG (CAS 713096-65-2), with molecular formula C26H31N5O6S and molecular weight 541.1995 g/mol. IUPAC: propan-2-yl 3-[[2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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