4-Amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile
Basic information
- CAS
230310-97-1- Standard SMILES
Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1- InChIKey
LFAMYXOBWYPWMK-UHFFFAOYSA-N- Molecular formula
- C19H14N2O2S
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- 4-Amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile
- IUPAC
- 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile
- English name
- 4-Amino-5-benzoyl-2-(3-methylphenoxy)-3-thiophenecarbonitrile
- Molecular formula
- C19H14N2O2S
- Molecular weight
- 334.39
Names & synonyms
4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile230310-97-14-amino-5-benzoyl-2-(3-methylphenoxy)-3-thiophenecarbonitrileMLS000326907Oprea1_277899CHEMBL54839HMS2294E20AKOS0051038639P-358SSMR0001795063-Thiophenecarbonitrile, 4-amino-5-benzoyl-2-(3-methylphenoxy)-
Database identifiers
- CAS
230310-97-1- ChEMBL
CHEMBL54839- Nikkaji
- J1.119.672A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 576.8 · 576.8±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -2.79 · -2.79±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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