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

HCID 67157698
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(CS(=O)(=O)c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)nccc3s2)cc1
InChIKey
QTVYRDHTFCJXBX-UHFFFAOYSA-N
Molecular formula
C24H29N3O4S2
Average molar mass
487.6 g/mol
Monoisotopic mass
487.15994876

Names & identifiers

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

Names & synonyms

SCHEMBL1776820QTVYRDHTFCJXBX-UHFFFAOYSA-Ntert-Butyl 4-{2-[(4-methylbenzyl)sulfonyl]thieno[3,2-c]pyridin-4-yl}piperazine-1-carboxylate

Database identifiers

PubChem CID
67157698

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
116 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

Loading…