Methyl 4-(2-((4-benzyl-1-piperazinyl)acetyl)carbohydrazonoyl)benzoate
Basic information
- CAS
315182-86-6- Standard SMILES
COC(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1- InChIKey
RGLLZTKUTNWJGV-HZHRSRAPSA-N- Molecular formula
- C22H26N4O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.2004907
Names & identifiers
- Preferred name
- Methyl 4-(2-((4-benzyl-1-piperazinyl)acetyl)carbohydrazonoyl)benzoate
- IUPAC
- methyl 4-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoate
- English name
- (E)-methyl 4-((2-(2-(4-benzylpiperazin-1-yl)acetyl)hydrazono)methyl)benzoate
- Molecular formula
- C22H26N4O3
- Molecular weight
- 394.47
Names & synonyms
STL333119AKOS022113575(E)-methyl 4-((2-(2-(4-benzylpiperazin-1-yl)acetyl)hydrazono)methyl)benzoateMETHYL 4-(2-((4-BENZYL-1-PIPERAZINYL)ACETYL)CARBOHYDRAZONOYL)BENZOATE1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[[4-(methoxycarbonyl)phenyl]methylene]hydrazide
Database identifiers
- CAS
315182-86-6- PubChem CID
- 9632018
- EC Number
- 126-673-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.46(Predicted)
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Compound notes
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