AC1MZUEE
methyl 2-acetamido-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: AG-205/40959957|SR-01000533537-1|A2561/0109118|methyl 2-(acetylamino)-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoropropanoate|methyl 2-(acetylamino)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate|methyl 2-acetamido-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate|methyl 2-(acetylamino)-2-[(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen -2-yl))amino]-3,3,3-trifluoropropanoate|METHYL 2-[(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-2-ACETAMIDO-3,3,3-TRIFLUOROPROPANOATE|methyl 2-acetamido-2-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate
| Molecular Formula | C16H18F3N3O3S |
|---|---|
| Molecular Weight | 389.1021 g/mol |
| LogP | 2.72418 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1021 |
| Monoisotopic Mass | 389.1021 |
| Heavy Atoms | 26 |
| Complexity | 769.26025 |
Chemical Identifiers
| CAS Number | 447430-08-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C |
Product Overview
AC1MZUEE (CAS 447430-08-2), with molecular formula C16H18F3N3O3S and molecular weight 389.1021 g/mol. IUPAC: methyl 2-acetamido-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate.
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