Ridogrel,4-pyridazinyl-M-trifluoromethylphenyl-C

HCID 10385168

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Basic information

Standard SMILES: O=C(O)CCCCCO/N=C(/c1ccnnc1)c1cccc(C(F)(F)F)c1
InChIKey: ATVVPDIARSXVPM-JJIBRWJFSA-N
Molecular formula: C18H18F3N3O3
Average molar mass: 381.3 g/mol
Monoisotopic mass: 381.13002593

Names & identifiers

Preferred name: Ridogrel,4-pyridazinyl-M-trifluoromethylphenyl-C
IUPAC: 6-[(E)-[pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxyhexanoic acid

Names & synonyms

CHEMBL336548DTXSID60878287BDBM50053761RIDOGREL,4-PYRIDAZINYL-M-TRIFLUOROMETHYLPHENYL-C6-[1-Pyridazin-4-yl-1-(3-trifluoromethyl-phenyl)-meth-(E)-ylideneaminooxy]-hexanoic acid6-{[(E)-{(Pyridazin-4-yl)[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}hexanoic acid

Database identifiers

PubChem CID: 10385168
DTXSID: DTXSID60878287
ChEMBL: CHEMBL336548
Nikkaji: J769.134C

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 500

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