Basic information
- Standard SMILES
COc1nc2ccccc2cc1NC(=S)N1CCN(c2cc(C)cc(C)c2)CC1- InChIKey
FKSWVPZBXFQEST-UHFFFAOYSA-N- Molecular formula
- C23H26N4OS
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- 1[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethylphenyl)piperazine
- IUPAC
- 4-(3,5-dimethylphenyl)-N-(2-methoxyquinolin-3-yl)piperazine-1-carbothioamide
Names & synonyms
SCHEMBL6651512FKSWVPZBXFQEST-UHFFFAOYSA-N1[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethylphenyl)piperazine
Database identifiers
- PubChem CID
- 53804541
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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