AC1NCE5V
ethyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_705354|F1016-0824|ethyl 2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C18H24N4O3S2 |
|---|---|
| Molecular Weight | 408.129 g/mol |
| LogP | 3.4415 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.129 |
| Monoisotopic Mass | 408.129 |
| Heavy Atoms | 27 |
| Complexity | 830.68353 |
Chemical Identifiers
| CAS Number | 403844-75-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NN=CN3C |
Product Overview
AC1NCE5V (CAS 403844-75-7), with molecular formula C18H24N4O3S2 and molecular weight 408.129 g/mol. IUPAC: ethyl 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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