Basic information
- CAS
445267-29-8- Standard SMILES
N#Cc1cc2c(N)c(C(=O)Nc3ccccc3SCc3cccc(Br)c3)sc2nc1N- InChIKey
MWAKCFNVZSZUKY-UHFFFAOYSA-N- Molecular formula
- C22H16BrN5OS2
- Average molar mass
- 510.4 g/mol
- Monoisotopic mass
- 508.99797
Names & identifiers
- Preferred name
- 3,6-diamino-N-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3,6-diamino-N-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamide
- English name
- 3,6-diamino-N-(2-{[(3-bromophenyl)methyl]sulfanyl}phenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
- Molecular formula
- C22H16BrN5OS2
- Molecular weight
- 510.42934
Names & synonyms
445267-29-83,6-diamino-N-(2-{[(3-bromophenyl)methyl]sulfanyl}phenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide3,6-diamino-N-[2-[(3-bromophenyl)methylsulfanyl]phenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamideAM-807/13614607STK541783AKOS0036817173,6-diamino-N-(2-((3-bromobenzyl)thio)phenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide3,6-diamino-N-{2-[(3-bromobenzyl)sulfanyl]phenyl}-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Database identifiers
- CAS
445267-29-8- PubChem CID
- 1604940
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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