N-(1H-indol-3-ylmethylideneamino)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
Basic information
- CAS
385404-34-2- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3c[nH]c4ccccc34)CC2)cc1- InChIKey
NCBLEAPQJJTXPT-UHFFFAOYSA-N- Molecular formula
- C22H25N5O3S
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- N-(1H-indol-3-ylmethylideneamino)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
- IUPAC
- N-(1H-indol-3-ylmethylideneamino)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
- English name
- N'-[(Z)-1H-indol-3-ylmethylidene]-2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}acetohydrazide
- Molecular formula
- C22H25N5O3S
- Molecular weight
- 439.53
Names & synonyms
(E)-N'-((1H-indol-3-yl)methylene)-2-(4-tosylpiperazin-1-yl)acetohydrazide1-Piperazineacetic acid, 4-[(4-methylphenyl)sulfonyl]-, 2-(1H-indol-3-ylmethylene)hydrazideN'-[(Z)-1H-indol-3-ylmethylidene]-2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}acetohydrazide
Database identifiers
- CAS
385404-34-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 737
Physicochemical properties
- Density
- 1.353 · 1.353±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.423 · 13.423±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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