Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cc(C#N)ccn3)c(F)c2)C1- InChIKey
CAKODRVTZWGBPM-UHFFFAOYSA-N- Molecular formula
- C22H23FN4O4
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.17033339
Names & identifiers
- Preferred name
- Tert-butyl 2-[4-[(4-cyanopyridine-2-carbonyl)amino]-3-fluorophenyl]morpholine-4-carboxylate
- IUPAC
- tert-butyl 2-[4-[(4-cyanopyridine-2-carbonyl)amino]-3-fluorophenyl]morpholine-4-carboxylate
Names & synonyms
SCHEMBL14150853
Database identifiers
- PubChem CID
- 71086920
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 703
Related reactions
1 records
Compound notes
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