Basic information
- Standard SMILES
CCOC(=O)c1c(S(=O)(=O)c2ccc(C)cc2)nc(-c2ccccc2)c([N+](=O)[O-])c1C(=O)OCC- InChIKey
LSHKGNCRAXVDQB-UHFFFAOYSA-N- Molecular formula
- C24H22N2O8S
- Average molar mass
- 498.5 g/mol
Names & identifiers
- Preferred name
- 3,4-Diethoxycarbonyl-5-nitro-6-phenyl-2-(p-tolylsulfonyl)pyridine
- IUPAC
- diethyl 2-(4-methylphenyl)sulfonyl-5-nitro-6-phenylpyridine-3,4-dicarboxylate
Names & synonyms
SCHEMBL9265376LSHKGNCRAXVDQB-UHFFFAOYSA-N3,4-Diethoxycarbonyl-5-nitro-6-phenyl-2-(p-tolylsulfonyl)pyridine
Database identifiers
- PubChem CID
- 19935608
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 854
Related reactions
4 records
Compound notes
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