AC1MH4AA
ethyl 3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 3-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|ethyl 3-(2-((5-((4-chlorobenzamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|ETHYL 3-{2-[(5-{[(4-CHLOROPHENYL)FORMAMIDO]METHYL}-4-ETHYL-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}BENZOATE
| Molecular Formula | C23H24ClN5O4S |
|---|---|
| Molecular Weight | 501.12375 g/mol |
| LogP | 3.7889 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.12375 |
| Monoisotopic Mass | 501.12375 |
| Heavy Atoms | 34 |
| Complexity | 1166.4221 |
Chemical Identifiers
| CAS Number | 713095-93-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)CNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AC1MH4AA (CAS 713095-93-3), with molecular formula C23H24ClN5O4S and molecular weight 501.12375 g/mol. IUPAC: ethyl 3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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