Basic information
- Standard SMILES
NC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)CCC3)ncc1Cl- InChIKey
SQFPWFSUKXQOIC-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN6O2
- Average molar mass
- 440.9 g/mol
- Monoisotopic mass
- 440.1163797
Names & identifiers
- Preferred name
- 2-[5-Chloro-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-benzamide
- IUPAC
- 2-[[5-chloro-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-3-fluorobenzamide
Names & synonyms
SCHEMBL2062669SQFPWFSUKXQOIC-UHFFFAOYSA-N2-[5-Chloro-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-benzamide
Database identifiers
- PubChem CID
- 67264649
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Related reactions
2 records
Compound notes
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