3-amino-N-(4-bromophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Basic information
- CAS
445268-16-6- Standard SMILES
COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3n2)cc1- InChIKey
GSWDPYSMMHLTTM-UHFFFAOYSA-N- Molecular formula
- C21H16BrN3O2S
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 453.01466
Names & identifiers
- Preferred name
- 3-amino-N-(4-bromophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-amino-N-(4-bromophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
- English name
- 3-amino-N-(4-bromophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
- Molecular formula
- C21H16BrN3O2S
- Molecular weight
- 454.34
Names & synonyms
3-amino-N-(4-bromophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide445268-16-6Oprea1_761072AM-807/13615416SCHEMBL14955329STK886851AKOS001669010EU-0014445Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-(4-bromophenyl)-6-(4-methoxyphenyl)-
Database identifiers
- CAS
445268-16-6- PubChem CID
- 1004019
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Boiling point
- 586.7 · 586.7±50.0 °C(Predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- pka
- 10.83 · 10.83±0.70(Predicted)
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Related reactions
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Compound notes
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