Basic information
- Standard SMILES
CN(CCNc1ccc([N+](=O)[O-])cn1)c1cnc([N+](=O)[O-])c(-c2ccc(Cl)cc2Cl)n1- InChIKey
YQKXUHPJSVHHRA-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N7O4
- Average molar mass
- 464.3 g/mol
- Monoisotopic mass
- 463.0562574
Names & identifiers
- Preferred name
- N-[6-(2,4-dichlorophenyl)-5-nitropyrazin-2-yl]-N-methyl-N'-(5-nitropyridin-2-yl) ethane-1,2-diamine
- IUPAC
- N'-[6-(2,4-dichlorophenyl)-5-nitropyrazin-2-yl]-N'-methyl-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
Names & synonyms
SCHEMBL5082606YQKXUHPJSVHHRA-UHFFFAOYSA-NN-[6-(2,4-dichlorophenyl)-5-nitropyrazin-2-yl]-N-methyl-N'-(5-nitropyridin-2-yl) ethane-1,2 -diamineN-[6-(2,4-dichlorophenyl)-5-nitropyrazin-2-yl]-N-methyl-N'-(5-nitropyridin-2-yl)ethane- 1,2-diamine
Database identifiers
- PubChem CID
- 10115741
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 623
Related reactions
2 records
Compound notes
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