Basic information
- Standard SMILES
Cc1cnc(NCCCC2CCN(C)CC2)nc1-c1cc2c(C(N)=O)cccc2s1.Cl.Cl- InChIKey
MFZWXRNEFVSINW-UHFFFAOYSA-N- Molecular formula
- C23H31Cl2N5OS
- Average molar mass
- 496.5 g/mol
Names & identifiers
- Preferred name
- 2-{5-Methyl-2-[3-(1-methylpiperidin-4-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid amide di-hydrochloride
- IUPAC
- 2-[5-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidin-4-yl]-1-benzothiophene-4-carboxamide;dihydrochloride
Names & synonyms
SCHEMBL4072960MFZWXRNEFVSINW-UHFFFAOYSA-N2-{5-Methyl-2-[3-(1-methylpiperidin-4-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid amide di-hydrochloride
Database identifiers
- PubChem CID
- 68901455
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 570
Related reactions
1 records
Compound notes
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