4-Chloro-3-nitro-5-(2-oxo-4-(2,4,6-trimethoxybenzyl)piperazin-1-yl)benzonitrile
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Basic information
- Standard SMILES
COc1cc(OC)c(CN2CCN(c3cc(C#N)cc([N+](=O)[O-])c3Cl)C(=O)C2)c(OC)c1- InChIKey
ODDHUAYYIMXBJQ-UHFFFAOYSA-N- Molecular formula
- C21H21ClN4O6
- Average molar mass
- 460.9 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-nitro-5-(2-oxo-4-(2,4,6-trimethoxybenzyl)piperazin-1-yl)benzonitrile
- IUPAC
- 4-chloro-3-nitro-5-[2-oxo-4-[(2,4,6-trimethoxyphenyl)methyl]piperazin-1-yl]benzonitrile
Names & synonyms
SCHEMBL15413874ODDHUAYYIMXBJQ-UHFFFAOYSA-N4-chloro-3-nitro-5-(2-oxo-4-(2,4,6-trimethoxybenzyl)piperazin-1-yl)benzonitrile
Database identifiers
- PubChem CID
- 89922571
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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