Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ncccn2)c1- InChIKey
XTWPYJCVFMLTLG-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
Names & identifiers
- Preferred name
- 3-Oxo-3-(3-pyrimidin-2-yl-phenyl)-propionic acid tert-butyl ester
- IUPAC
- tert-butyl 3-oxo-3-(3-pyrimidin-2-ylphenyl)propanoate
Names & synonyms
SCHEMBL5558795XTWPYJCVFMLTLG-UHFFFAOYSA-N3-Oxo-3-(3-pyrimidin-2-yl-phenyl)-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69487357
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
8 records
Compound notes
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