Basic information
- Standard SMILES
CN(C)S(=O)(=O)c1ccc(-c2cnc3[nH]c(CCC4CCCCC(=S)N4)nc3c2)cc1- InChIKey
YFTURXRNIULBAW-UHFFFAOYSA-N- Molecular formula
- C22H27N5O2S2
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.16061747
Names & identifiers
- Preferred name
- N,N-dimethyl-4-{2-[2-(7-thioxo-azepan-2-yl)-ethyl]-3H-imidazo[4,5-b]pyridin-6-yl}-benzenesulfonamide
- IUPAC
- N,N-dimethyl-4-[2-[2-(7-sulfanylideneazepan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide
Names & synonyms
SCHEMBL3071833YFTURXRNIULBAW-UHFFFAOYSA-NN,N-dimethyl-4-{2-[2-(7-thioxo-azepan-2-yl)-ethyl]-3H-imidazo[4,5-b]pyridin-6-yl}-benzenesulfonamide
Database identifiers
- PubChem CID
- 86630349
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 718
Related reactions
4 records
Compound notes
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