Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(-c2ccc3oc(-c4ccc(OC)c([N+](=O)[O-])c4)nc3c2)cc1- InChIKey
JDNHLXMWQMMTKA-UHFFFAOYSA-N- Molecular formula
- C22H18N2O6S
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-Nitro-4-methoxyphenyl)-5-(4-ethylsulfonylphenyl)benzoxazole
- IUPAC
- 5-(4-ethylsulfonylphenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole
Names & synonyms
SCHEMBL5834214JDNHLXMWQMMTKA-UHFFFAOYSA-N2-(3-Nitro-4-methoxyphenyl)-5-(4-ethylsulfonylphenyl)benzoxazole
Database identifiers
- PubChem CID
- 21884653
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 727
Related reactions
2 records
Compound notes
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