AC1NA0VZ
methyl 2-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41026074|methyl 2-({3-[(2,2,3,3-tetrafluoropropoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(3-((2,2,3,3-tetrafluoropropoxy)methyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[({3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H21F4NO4S |
|---|---|
| Molecular Weight | 459.11273 g/mol |
| LogP | 5.0828 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.11273 |
| Monoisotopic Mass | 459.11273 |
| Heavy Atoms | 31 |
| Complexity | 960.8515 |
Chemical Identifiers
| CAS Number | 445246-06-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)COCC(C(F)F)(F)F |
Product Overview
AC1NA0VZ (CAS 445246-06-0), with molecular formula C21H21F4NO4S and molecular weight 459.11273 g/mol. IUPAC: methyl 2-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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