AC1MO7F1
methyl 2-[[2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate|METHYL 2-(2-{[5-(4,5-DIMETHYLTHIOPHEN-3-YL)-4-ETHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)THIOPHENE-3-CARBOXYLATE|methyl 2-[({[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate|methyl 2-[[2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate|methyl 2-{2-[5-(4,5-dimethyl(3-thienyl))-4-ethyl-1,2,4-triazol-3-ylthio]acetyl amino}thiophene-3-carboxylate
| Molecular Formula | C18H20N4O3S3 |
|---|---|
| Molecular Weight | 436.06976 g/mol |
| LogP | 4.22224 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.06976 |
| Monoisotopic Mass | 436.06976 |
| Heavy Atoms | 28 |
| Complexity | 1005.8075 |
Chemical Identifiers
| CAS Number | 590357-28-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CSC(=C3C)C |
Product Overview
AC1MO7F1 (CAS 590357-28-1), with molecular formula C18H20N4O3S3 and molecular weight 436.06976 g/mol. IUPAC: methyl 2-[[2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate.
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