AC1M3TWB
methyl 2-chloro-5-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-chloro-5-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-chloro-5-(2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|METHYL 2-CHLORO-5-(2-{[4-ETHYL-5-(4-METHYLPHENYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)BENZOATE|methyl 2-chloro-5-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H21ClN4O3S |
|---|---|
| Molecular Weight | 444.1023 g/mol |
| LogP | 4.44422 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1023 |
| Monoisotopic Mass | 444.1023 |
| Heavy Atoms | 30 |
| Complexity | 1066.6135 |
Chemical Identifiers
| CAS Number | 694468-33-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)C |
Product Overview
AC1M3TWB (CAS 694468-33-2), with molecular formula C21H21ClN4O3S and molecular weight 444.1023 g/mol. IUPAC: methyl 2-chloro-5-[[2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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