AC1M3T9T
ethyl 4-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|ethyl 4-(2-((5-((4-chlorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H22ClN5O4S |
|---|---|
| Molecular Weight | 487.1081 g/mol |
| LogP | 3.306 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.1081 |
| Monoisotopic Mass | 487.1081 |
| Heavy Atoms | 33 |
| Complexity | 1132.6929 |
Chemical Identifiers
| CAS Number | 694465-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AC1M3T9T (CAS 694465-82-2), with molecular formula C22H22ClN5O4S and molecular weight 487.1081 g/mol. IUPAC: ethyl 4-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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