SB-782443

HCID 9951636

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3C)ccc2s1
InChIKey: QBATWTOFDFHEDZ-UHFFFAOYSA-N
Molecular formula: C21H16FN3OS
Average molar mass: 377.4 g/mol

Names & identifiers

Preferred name: SB-782443
IUPAC: 6-(4-fluorophenyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-carboxamide

Names & synonyms

SB-782443RefChem:931371SB 782443CHEMBL5146916-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamideSCHEMBL4388633SCHEMBL29386356QBATWTOFDFHEDZ-UHFFFAOYSA-NBDBM502633846-(4-fluorophenyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-carboxamide

Database identifiers

PubChem CID: 9951636
ChEMBL: CHEMBL514691

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 528

Related reactions

2 records

New reaction record

HRID 491570As productuspto-grants-2009_05

HRID 1560733As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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