Basic information
- Standard SMILES
CNC(=O)c1cccc2sc(-c3nc(NCCCN4CCN(C)[C@@H](C)C4)ncc3C)cc12.Cl.Cl.Cl- InChIKey
CQXJMWWODOQQGS-FCQHKQNSSA-N- Molecular formula
- C24H35Cl3N6OS
- Average molar mass
- 562 g/mol
Names & identifiers
- Preferred name
- (S)-2-{2-[3-(3,4-Dimethylpiperazin-1-yl)-propylamino]-5-methylpyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid methylamide tri-hydrochloride
- IUPAC
- 2-[2-[3-[(3S)-3,4-dimethylpiperazin-1-yl]propylamino]-5-methylpyrimidin-4-yl]-N-methyl-1-benzothiophene-4-carboxamide;trihydrochloride
Names & synonyms
SCHEMBL4093496CQXJMWWODOQQGS-FCQHKQNSSA-N(S)-2-{2-[3-(3,4-Dimethylpiperazin-1-yl)-propylamino]-5-methylpyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid methylamide tri-hydrochloride
Database identifiers
- PubChem CID
- 68909366
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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