Basic information
- Standard SMILES
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(F)cc4)C3)n2)c1- InChIKey
DKQVAFUGYSTYEG-UHFFFAOYSA-N- Molecular formula
- C21H20FN5O2
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-(3-(4-fluorophenoxy)azetidin-1-yl)pyrimidin-2-ylamino)-N-methylbenzamide
- IUPAC
- 3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-N-methylbenzamide
Names & synonyms
SCHEMBL2296970CHEMBL3929236DKQVAFUGYSTYEG-UHFFFAOYSA-N3-(4-(3-(4-fluorophenoxy)azetidin-1-yl)pyrimidin-2-ylamino)-N-methylbenzamide
Database identifiers
- PubChem CID
- 53373537
- ChEMBL
CHEMBL3929236
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
Loading…