Benzamide, 4-nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethyl-, dihydrochloride
Basic information
- CAS
104373-53-7- Standard SMILES
Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1C(=O)NCCN1CCN(c2ccccn2)CC1.Cl.Cl- InChIKey
KFZIXFYOLXRCFK-UHFFFAOYSA-N- Molecular formula
- C22H31Cl2N5O3
- Average molar mass
- 484.4 g/mol
- Monoisotopic mass
- 483.1803953
Names & identifiers
- Preferred name
- Benzamide, 4-nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethyl-, dihydrochloride
- IUPAC
- 2,3,5,6-tetramethyl-4-nitro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide;dihydrochloride
Names & synonyms
104373-53-7Benzamide, 4-nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethyl-, dihydrochlorideDTXSID701464094-Nitro-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-2,3,5,6-tetramethylbenzamide 2HClRefChem:321767DTXCID9068900CHEMBL12027042,3,5,6-Tetramethyl-4-nitro-N-{2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzamide--hydrogen chloride (1/2)
Database identifiers
- CAS
104373-53-7- PubChem CID
- 59842
- DTXSID
DTXSID70146409- ChEMBL
CHEMBL1202704
Properties
Computed structural properties
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 574
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Related reactions
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Compound notes
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