2-(2-t-Butoxycarbonylaminopyridin-4-yl)-3-dimethylamino-1-(4-fluorophenyl)-2-propen-1-one
Basic information
- Standard SMILES
CN(C)C=C(C(=O)c1ccc(F)cc1)c1ccnc(NC(=O)OC(C)(C)C)c1- InChIKey
PLZLYWWYVYOXEU-UHFFFAOYSA-N- Molecular formula
- C21H24FN3O3
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-t-Butoxycarbonylaminopyridin-4-yl)-3-dimethylamino-1-(4-fluorophenyl)-2-propen-1-one
- IUPAC
- tert-butyl N-[4-[1-(dimethylamino)-3-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-2-pyridinyl]carbamate
Names & synonyms
SCHEMBL5357995PLZLYWWYVYOXEU-UHFFFAOYSA-N2-(2-t-butoxycarbonylaminopyridin-4-yl)-3-dimethylamino-1-(4-fluorophenyl)-2-propen-1-one
Database identifiers
- PubChem CID
- 69415993
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
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Related reactions
6 records
Compound notes
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