1-[(2-Methylquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
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Basic information
- Standard SMILES
COc1cc(OC)cc(N2CCN(C(=S)Nc3cc4ccccc4nc3C)CC2)c1- InChIKey
YDAVUKCDHOYFDO-UHFFFAOYSA-N- Molecular formula
- C23H26N4O2S
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 1-[(2-Methylquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
- IUPAC
- 4-(3,5-dimethoxyphenyl)-N-(2-methylquinolin-3-yl)piperazine-1-carbothioamide
Names & synonyms
SCHEMBL6965032YDAVUKCDHOYFDO-UHFFFAOYSA-N1-[(2-Methylquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
Database identifiers
- PubChem CID
- 54501950
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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