Basic information
- Standard SMILES
CCCCN(Cc1ccc(OCC(=O)OCC)c(C)c1)c1nccc(-c2ccc(Cl)cc2)n1- InChIKey
ADWCYWUUVXPYOI-UHFFFAOYSA-N- Molecular formula
- C26H30ClN3O3
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1975695
Names & identifiers
- Preferred name
- Ethyl [4-({butyl[4-(4-chlorophenyl)pyrimidin-2-yl]amino}methyl)-2-methylphenoxy]acetate
- IUPAC
- ethyl 2-[4-[[butyl-[4-(4-chlorophenyl)pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate
Names & synonyms
SCHEMBL14526071ADWCYWUUVXPYOI-UHFFFAOYSA-NEthyl [4-({butyl[4-(4-chlorophenyl)pyrimidin-2-yl]amino}methyl)-2-methylphenoxy]acetate
Database identifiers
- PubChem CID
- 58622896
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 573
Related reactions
4 records
Compound notes
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