2-amino-4-(4-bromophenyl)-7,9-dimethyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
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Basic information
- CAS
354554-53-3- Standard SMILES
Cc1cc(C)c2c3c(sc2n1)C(c1ccc(Br)cc1)C(C#N)=C(N)O3- InChIKey
YWWBUYJNNRKBBT-UHFFFAOYSA-N- Molecular formula
- C19H14BrN3OS
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.0041
Names & identifiers
- Preferred name
- 2-amino-4-(4-bromophenyl)-7,9-dimethyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
- IUPAC
- 4-amino-6-(4-bromophenyl)-11,13-dimethyl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
- English name
- 2-amino-4-(4-bromophenyl)-7,9-dimethyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile
- Molecular formula
- C19H14BrN3OS
- Molecular weight
- 412.30296
Names & synonyms
2-amino-4-(4-bromophenyl)-7,9-dimethyl-4H-pyrano[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrileAM-807/131030904-amino-6-(4-bromophenyl)-11,13-dimethyl-3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-5-carbonitrile
Database identifiers
- CAS
354554-53-3- PubChem CID
- 5211562
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
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Compound notes
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