3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(2,6-dimethylphenoxy)acetyl]benzohydrazide
Basic information
- CAS
852958-18-0- Standard SMILES
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3c(C)cccc3C)c2)CC1- InChIKey
SJRWSLCSLHMUFY-UHFFFAOYSA-N- Molecular formula
- C23H28N4O6S
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.1729558
Names & identifiers
- Preferred name
- 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(2,6-dimethylphenoxy)acetyl]benzohydrazide
- IUPAC
- 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(2,6-dimethylphenoxy)acetyl]benzohydrazide
Names & synonyms
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(2,6-dimethylphenoxy)acetyl]benzohydrazideMLS002245652CHEMBL1892975DTXSID501332289HMS3094D06AKOS034131711852958-18-0SMR001309296Z303623963-(4-Acetylpiperazine-1-sulfonyl)-N'-[(2,6-dimethylphenoxy)acetyl]benzohydrazide
Database identifiers
- CAS
852958-18-0- PubChem CID
- 4847017
- DTXSID
DTXSID501332289- ChEMBL
CHEMBL1892975
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 827
Experimental & physicochemical properties
Solubility57.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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