Basic information
- Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc(-c4ccccc4)sc23)c(Cl)cc1Cl- InChIKey
BZZYOJQOEXVZLP-UHFFFAOYSA-N- Molecular formula
- C21H13Cl2N3OS
- Average molar mass
- 426.3 g/mol
Names & identifiers
- Preferred name
- 7-[(2,4-Dichloro-5-methoxyphenyl)amino]-2-phenylthieno[3,2-b]pyridine-6-carbonitrile
- IUPAC
- 7-(2,4-dichloro-5-methoxyanilino)-2-phenylthieno[3,2-b]pyridine-6-carbonitrile
Names & synonyms
7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-phenylthieno[3,2-b]pyridine-6-carbonitrilethieno[3,2-b]pyridine-6-carbonitrile 11BDBM6439CHEMBL373582SCHEMBL4901394BZZYOJQOEXVZLP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 5330409
- ChEMBL
CHEMBL373582
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 581
Related reactions
3 records
Compound notes
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