Basic information
- Standard SMILES
O=C(O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c([N+](=O)[O-])c1- InChIKey
XHBMZQPCURAKJM-UHFFFAOYSA-N- Molecular formula
- C22H14F2N4O5
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-nitrobenzoic acid
- IUPAC
- 4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]-3-nitrobenzoic acid
Names & synonyms
SCHEMBL3510604XHBMZQPCURAKJM-UHFFFAOYSA-N1108746-72-0DB-1177194-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-nitrobenzoic acid
Database identifiers
- PubChem CID
- 68670943
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 743
Related reactions
14 records
Compound notes
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