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Basic information
- Standard SMILES
Nc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1- InChIKey
CFHCQZXHPXULBF-UHFFFAOYSA-N- Molecular formula
- C24H16ClF2N5
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.1062295
Names & identifiers
- Preferred name
- N-[9-chloro-7-(2,6-difluoro-phenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl]-benzene-1,4-diamine
- IUPAC
- 4-N-[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]benzene-1,4-diamine
Names & synonyms
SCHEMBL2702807CFHCQZXHPXULBF-UHFFFAOYSA-NN-[9-chloro-7-(2,6-difluoro-phenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl]-benzene-1,4-diamine
Database identifiers
- PubChem CID
- 57797709
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 663
Related reactions
4 records
Compound notes
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