Basic information
- Standard SMILES
CC(C)C1CN(C)CCN1CCCNc1ncc(Cl)c(-c2cc3c(C(=O)NC4CC4)cccc3s2)n1.Cl.Cl.Cl- InChIKey
QNVNGCPUWDAHCJ-UHFFFAOYSA-N- Molecular formula
- C27H38Cl4N6OS
- Average molar mass
- 636.5 g/mol
Names & identifiers
- Preferred name
- Racemic 2-{5-Chloro-2-[3-(2-isopropyl-4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide tri-hydrochloride
- IUPAC
- 2-[5-chloro-2-[3-(4-methyl-2-propan-2-ylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide;trihydrochloride
Names & synonyms
SCHEMBL4083129QNVNGCPUWDAHCJ-UHFFFAOYSA-NRacemic 2-{5-Chloro-2-[3-(2-isopropyl-4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide tri-hydrochloride
Database identifiers
- PubChem CID
- 68905352
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 741
Related reactions
1 records
Compound notes
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