AC1LC7OS
methyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: A2323/0097973|SR-01000452839-1|Methyl 2-(benzoylamino)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoropropanoate #|METHYL 2-[(3-CYANO-4-ETHYL-5-METHYLTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-(PHENYLFORMAMIDO)PROPANOATE|methyl 2-benzamido-2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoropropanoate|methyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate|methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(phenylcarbonyl)amino]alaninate|Propanoic acid, 2-benzoylamino-2-(3-cyano-4-ethyl-5-methyl-2-thienylamino)-3,3,3-trifluoro-, methyl ester
| Molecular Formula | C19H18F3N3O3S |
|---|---|
| Molecular Weight | 425.1021 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.1021 |
| Monoisotopic Mass | 425.1021 |
| Heavy Atoms | 29 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 374101-57-2 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CC=C2)C |
| InChIKey | DFLZCSBCCIPDCP-UHFFFAOYSA-N |
Product Overview
AC1LC7OS (CAS 374101-57-2), with molecular formula C19H18F3N3O3S and molecular weight 425.1021 g/mol. IUPAC: methyl 2-benzamido-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoropropanoate.
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