4-(2-(((4-Fluorobenzoyl)amino)AC)carbohydrazonoyl)phenyl 2-thiophenecarboxylate
Basic information
- CAS
339322-01-9- Standard SMILES
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1- InChIKey
YUNYNLURNFUGRH-WYMPLXKRSA-N- Molecular formula
- C21H16FN3O4S
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.08455534
Names & identifiers
- Preferred name
- 4-(2-(((4-Fluorobenzoyl)amino)AC)carbohydrazonoyl)phenyl 2-thiophenecarboxylate
- IUPAC
- [4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
- English name
- 4-(2-(((4-Fluorobenzoyl)amino)Ac)carbohydrazonoyl)phenyl 2-thiophenecarboxylate
- Molecular formula
- C21H16FN3O4S
- Molecular weight
- 425.43
Names & synonyms
STK755161AKOS0017136724-(2-(((4-FLUOROBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE4-{(E)-[2-({[(4-fluorophenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}phenyl thiophene-2-carboxylate (non-preferred name)2-Thiophenecarboxylic acid, 4-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
339322-01-9- PubChem CID
- 9599733
- EC Number
- 131-102-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Density
- 1.352 · 1.352±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.994 · 11.994±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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