Basic information
- Standard SMILES
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(C(C)=O)CCCO3)ncc1Cl- InChIKey
CZVMMNLRDFMWFN-UHFFFAOYSA-N- Molecular formula
- C23H22ClFN6O3
- Average molar mass
- 484.9 g/mol
Names & identifiers
- Preferred name
- 2-[2-(9-Acetyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-fluoro-n-methyl-benzamide
- IUPAC
- 2-[[2-[(5-acetyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl)amino]-5-chloropyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
Names & synonyms
CHEMBL1642149SCHEMBL884929BDBM503335752-[2-(9-acetyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-fluoro-n-methyl-benzamide
Database identifiers
- PubChem CID
- 53323973
- ChEMBL
CHEMBL1642149
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 720
Related reactions
1 records
Compound notes
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