tert-Butyl 4-{2-[(3,5-dimethoxybenzyl)sulfonyl]thieno[3,2-c]pyridin-4-yl}piperazine-1-carboxylate

HCID 67157767
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Basic information

Standard SMILES
COc1cc(CS(=O)(=O)c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)nccc3s2)cc(OC)c1
InChIKey
FAYMFGOZGMFWMS-UHFFFAOYSA-N
Molecular formula
C25H31N3O6S2
Average molar mass
533.7 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-{2-[(3,5-dimethoxybenzyl)sulfonyl]thieno[3,2-c]pyridin-4-yl}piperazine-1-carboxylate
IUPAC
tert-butyl 4-[2-[(3,5-dimethoxyphenyl)methylsulfonyl]thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL1777001FAYMFGOZGMFWMS-UHFFFAOYSA-Ntert-Butyl 4-{2-[(3,5-dimethoxybenzyl)sulfonyl]thieno[3,2-c]pyridin-4-yl}piperazine-1-carboxylate

Database identifiers

PubChem CID
67157767

Properties

Computed structural properties

XLogP
4
Topological polar surface area
135 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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