Basic information
- Standard SMILES
CN1C(=O)OCCc2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4OC4CCOC4)n3)ccc21- InChIKey
HHCKRCFKMXIENN-UHFFFAOYSA-N- Molecular formula
- C24H23ClFN5O4
- Average molar mass
- 499.9 g/mol
- Monoisotopic mass
- 499.1422601
Names & identifiers
- Preferred name
- 2-{5-Chloro-4-[2-fluoro-6-(tetrahydro-furan-3-yloxy)-phenylamino]-pyrimidin-2-ylamino}-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one
- IUPAC
- 7-[[5-chloro-4-[2-fluoro-6-(oxolan-3-yloxy)anilino]pyrimidin-2-yl]amino]-1-methyl-4,5-dihydro-3,1-benzoxazepin-2-one
Names & synonyms
SCHEMBL2061761HHCKRCFKMXIENN-UHFFFAOYSA-N2-{5-Chloro-4-[2-fluoro-6-(tetrahydro-furan-3-yloxy)-phenylamino]-pyrimidin-2-ylamino}-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one
Database identifiers
- PubChem CID
- 67264160
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 725
Related reactions
3 records
Compound notes
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