Basic information
- Standard SMILES
CC(C)(C)c1ncc(NC(=O)Nc2cccc(Oc3ccccc3)c2)c(-c2ccccc2)n1- InChIKey
ACMSGMIUSQDSEU-UHFFFAOYSA-N- Molecular formula
- C27H26N4O2
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20557608
Names & identifiers
- Preferred name
- 1-(2-t-Butyl-4-phenylpyrimidin-5-yl)-3-(3-phenoxyphenyl)urea
- IUPAC
- 1-(2-tert-butyl-4-phenylpyrimidin-5-yl)-3-(3-phenoxyphenyl)urea
Names & synonyms
SCHEMBL2083514ACMSGMIUSQDSEU-UHFFFAOYSA-NDB-1611371-(2-t-butyl-4-phenylpyrimidin-5-yl)-3-(3-phenoxyphenyl)urea1-(2-(Tert-butyl)-4-phenylpyrimidin-5-yl)-3-(3-phenoxyphenyl)urea897370-16-0
Database identifiers
- PubChem CID
- 58851671
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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