Basic information
- Standard SMILES
COc1cccc(N2CCN(C(=S)Nc3cc4ccccc4nc3OC)CC2)c1- InChIKey
GNRSJAAXFMFGRD-UHFFFAOYSA-N- Molecular formula
- C22H24N4O2S
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 1-[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3-methoxyphenyl)piperazine
- IUPAC
- 4-(3-methoxyphenyl)-N-(2-methoxyquinolin-3-yl)piperazine-1-carbothioamide
Names & synonyms
SCHEMBL6960446GNRSJAAXFMFGRD-UHFFFAOYSA-N1-[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3-methoxyphenyl)piperazine
Database identifiers
- PubChem CID
- 53847925
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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