Basic information
- Standard SMILES
Cc1cnc(NCCCN2C(C)CNCC2C)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1- InChIKey
UHYNOKBBWZKICK-UHFFFAOYSA-N- Molecular formula
- C26H34N6OS
- Average molar mass
- 478.7 g/mol
- Monoisotopic mass
- 478.2514809
Names & identifiers
- Preferred name
- 2-{2-[3-(2,6-Dimethylpiperazin-1-yl)-propylamino]-5-methylpyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide
- IUPAC
- N-cyclopropyl-2-[2-[3-(2,6-dimethylpiperazin-1-yl)propylamino]-5-methylpyrimidin-4-yl]-1-benzothiophene-4-carboxamide
Names & synonyms
SCHEMBL3966460UHYNOKBBWZKICK-UHFFFAOYSA-N2-{2-[3-(2,6-Dimethylpiperazin-1-yl)-propylamino]-5-methylpyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide
Database identifiers
- PubChem CID
- 68857773
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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