Basic information
- CAS
362592-12-9- Standard SMILES
CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)sc(C)c1C- InChIKey
YXQTYTGEYVVSQS-UHFFFAOYSA-N- Molecular formula
- C24H24F8N2O6S2
- Average molar mass
- 652.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[[6-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[[6-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
- English name
- ethyl 2-[(6-{[3-(ethoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
- Molecular formula
- C24H24F8N2O6S2
- Molecular weight
- 652.5743856
Names & synonyms
ethyl 2-[(6-{[3-(ethoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl)amino]-4,5-dimethyl-3-thiophenecarboxylateSTK451704AKOS003290017ethyl 2-[[6-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl]amino]-4,5-dimethylthiophene-3-carboxylateST024908AK-968/40380442diethyl 2,2'-[(2,2,3,3,4,4,5,5-octafluoro-1,6-dioxohexane-1,6-diyl)diimino]bis(4,5-dimethylthiophene-3-carboxylate)ethyl 2-(5-{N-[3-(ethoxycarbonyl)-4,5-dimethyl(2-thienyl)]carbamoyl}-2,2,3,3,4 ,4,5,5-octafluoropentanoylamino)-4,5-dimethylthiophene-3-carboxylate
Database identifiers
- CAS
362592-12-9
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 972
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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