AC1NOEGD
methyl 2-[[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AK-968/40731889|METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE|methyl 2-({[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate|methyl 2-(1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate|methyl 2-[[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H20F3N3O3S2 |
|---|---|
| Molecular Weight | 483.0898 g/mol |
| LogP | 5.49334 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.0898 |
| Monoisotopic Mass | 483.0898 |
| Heavy Atoms | 32 |
| Complexity | 1261.1646 |
Chemical Identifiers
| CAS Number | 445017-55-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C3=C(S2)N=C(C4=C3CCCC4)C(F)(F)F)N)C |
Product Overview
AC1NOEGD (CAS 445017-55-0), with molecular formula C21H20F3N3O3S2 and molecular weight 483.0898 g/mol. IUPAC: methyl 2-[[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
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