5-Cyclohex-1-enyl-3-(4-[1,2,4]triazol-1-yl-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester

HCID 57795427
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1NC1CCC(n2cncn2)CC1
InChIKey
QFIKJRHQBUOWDD-UHFFFAOYSA-N
Molecular formula
C20H26N4O2S
Average molar mass
386.5 g/mol

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-(4-[1,2,4]triazol-1-yl-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-(cyclohexen-1-yl)-3-[[4-(1,2,4-triazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylate

Names & synonyms

SCHEMBL2106245QFIKJRHQBUOWDD-UHFFFAOYSA-N5-cyclohex-1-enyl-3-(4-[1,2,4]triazol-1-yl-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795427

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
97.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

Related reactions

6 records
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Compound notes

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