3-chloro-N-(4-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)bicyclo[2.2.2]octan-1-yl)benzenesulfonamide

HCID 58009792
NotesReactions
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c2ncc2nnc(C45CCC(NS(=O)(=O)c6cccc(Cl)c6)(CC4)CC5)n23)cc1
InChIKey
XWMFEIOBEXJCJZ-UHFFFAOYSA-N
Molecular formula
C28H27ClN6O4S2
Average molar mass
611.1 g/mol
Monoisotopic mass
610.1223734

Names & identifiers

Preferred name
3-chloro-N-(4-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)bicyclo[2.2.2]octan-1-yl)benzenesulfonamide
IUPAC
3-chloro-N-[4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-1-bicyclo[2.2.2]octanyl]benzenesulfonamide

Names & synonyms

SCHEMBL4352386XWMFEIOBEXJCJZ-UHFFFAOYSA-N3-chloro-N-(4-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)bicyclo[2.2.2]octan-1-yl)benzenesulfonamide

Database identifiers

PubChem CID
58009792

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
145 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
41

Related reactions

3 records
New reaction record

Compound notes

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