Basic information
- Standard SMILES
CC(C)c1cc(OCc2ccc(C(=O)O)cc2)nc(-c2cccc([N+](=O)[O-])c2)n1- InChIKey
MUWNPGGZANYJOP-UHFFFAOYSA-N- Molecular formula
- C21H19N3O5
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 4-({[6-Isopropyl-2-(3-nitrophenyl)pyrimidin-4-yl]oxy}methyl)benzoic acid
- IUPAC
- 4-[[2-(3-nitrophenyl)-6-propan-2-ylpyrimidin-4-yl]oxymethyl]benzoic acid
Names & synonyms
SCHEMBL4808071MUWNPGGZANYJOP-UHFFFAOYSA-N4-({[6-Isopropyl-2-(3-nitrophenyl)pyrimidin-4-yl]oxy}methyl)benzoic acid
Database identifiers
- PubChem CID
- 69199289
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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