Basic information
- Standard SMILES
CC(C)c1cc(OCc2ccc(C(=O)O)cc2)nc(-c2cc(Cl)cc(Cl)c2)n1- InChIKey
RWZYPVDFJULQPV-UHFFFAOYSA-N- Molecular formula
- C21H18Cl2N2O3
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 416.0694478
Names & identifiers
- Preferred name
- 4-({[2-(3,5-Dichlorophenyl)-6-isopropylpyrimidin-4-yl]oxy}methyl)benzoic acid
- IUPAC
- 4-[[2-(3,5-dichlorophenyl)-6-propan-2-ylpyrimidin-4-yl]oxymethyl]benzoic acid
Names & synonyms
SCHEMBL4807112RWZYPVDFJULQPV-UHFFFAOYSA-N4-({[2-(3,5-Dichlorophenyl)-6-isopropylpyrimidin-4-yl]oxy}methyl)benzoic acid
Database identifiers
- PubChem CID
- 10070570
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
Related reactions
1 records
Compound notes
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