AC1MWP1I
methyl 2-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Also Known As: Oprea1_577354|AG-205/11318516|SR-01000509689-1|A0566/0026125|methyl [(7-tert-butyl-3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetate|methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate|methyl 2-((7-(tert-butyl)-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetate|methyl 2-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate|METHYL 2-{[7-TERT-BUTYL-3-CYANO-4-(THIOPHEN-2-YL)-5,6,7,8-TETRAHYDROQUINOLIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C21H24N2O2S2 |
|---|---|
| Molecular Weight | 400.12793 g/mol |
| LogP | 5.09788 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.12793 |
| Monoisotopic Mass | 400.12793 |
| Heavy Atoms | 27 |
| Complexity | 877.0622 |
Chemical Identifiers
| CAS Number | 339583-87-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC(=O)OC |
Product Overview
AC1MWP1I (CAS 339583-87-8), with molecular formula C21H24N2O2S2 and molecular weight 400.12793 g/mol. IUPAC: methyl 2-[(7-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate.
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