Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1- InChIKey
NXFRTLPEWJLCNZ-UHFFFAOYSA-N- Molecular formula
- C24H14ClF2N5O2
- Average molar mass
- 477.8 g/mol
Names & identifiers
- Preferred name
- [9-chloro-7-(2,6-difluoro-phenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl]-(4-nitro-phenyl)-amine
- IUPAC
- 9-chloro-7-(2,6-difluorophenyl)-N-(4-nitrophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-amine
Names & synonyms
SCHEMBL2704167NXFRTLPEWJLCNZ-UHFFFAOYSA-N[9-chloro-7-(2,6-difluoro-phenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl]-(4-nitro-phenyl)-amine
Database identifiers
- PubChem CID
- 57798211
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 752
Related reactions
4 records
Compound notes
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