Basic information
- Standard SMILES
CNC(=O)c1ccc(-c2nccnc2C2CN(C(=O)OC(C)(C)C)C2)cc1F- InChIKey
HOFZYGWKYOZJCD-UHFFFAOYSA-N- Molecular formula
- C20H23FN4O3
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.17541877
Names & identifiers
- Preferred name
- Tert-butyl 3-(3-(3-fluoro-4-(methylcarbamoyl)phenyl)pyrazin-2-YL)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[3-[3-fluoro-4-(methylcarbamoyl)phenyl]pyrazin-2-yl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL15539020HOFZYGWKYOZJCD-UHFFFAOYSA-NTert-Butyl 3-(3-(3-Fluoro-4-(Methylcarbamoyl)Phenyl) Pyrazin-2-Yl)Azetidine-1-CarboxylateTERT-BUTYL 3-(3-(3-FLUORO-4-(METHYLCARBAMOYL)PHENYL)PYRAZIN-2-YL)AZETIDINE-1-CARBOXYLATE
Database identifiers
- PubChem CID
- 86705405
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 576
Related reactions
6 records
Compound notes
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