6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-N-[2-(morpholin-4-yl)ethyl]-1,3-benzothiazol-2-amine

HCID 42598657

Notes Reactions

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Basic information

Standard SMILES: Fc1ccc(-c2ccc3nnc(Sc4ccc5nc(NCCN6CCOCC6)sc5c4)n3n2)cc1
InChIKey: VKQVGHSFCUKNLV-UHFFFAOYSA-N
Molecular formula: C24H22FN7OS2
Average molar mass: 507.6 g/mol

Names & identifiers

Preferred name: 6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-N-[2-(morpholin-4-yl)ethyl]-1,3-benzothiazol-2-amine
IUPAC: 6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine

Names & synonyms

CHEMBL4455032SCHEMBL2763173VKQVGHSFCUKNLV-UHFFFAOYSA-NBDBM505327456-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulphanyl}-N-[2-(morpholin-4-yl)ethyl]-1,3-benzothiazol-2-amine

Database identifiers

PubChem CID: 42598657
ChEMBL: CHEMBL4455032

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 134 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 684

Related reactions

3 records

New reaction record

HRID 517806As productuspto-grants-2015_08

HRID 633498As productuspto-grants-2016_04

HRID 1035768As productuspto-grants-2013_10

Compound notes

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