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Basic information
- Standard SMILES
N#Cc1cnc2c(sc3ccc(N)cc32)c1Nc1cccc(Br)c1- InChIKey
IABDBYQAUVHTBA-UHFFFAOYSA-N- Molecular formula
- C18H11BrN4S
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 393.98878
Names & identifiers
- Preferred name
- 8-Amino-4-(3-bromoanilino)-[1]benzothieno[3,2-b]pyridine-3-carbonitrile
- IUPAC
- 8-amino-4-(3-bromoanilino)-[1]benzothiolo[3,2-b]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL5251712IABDBYQAUVHTBA-UHFFFAOYSA-N8-amino-4-(3-bromoanilino)-[1]benzothieno[3,2-b]pyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 10271997
- Nikkaji
- J1.791.828A
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
6 records
Compound notes
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