5-Cyclohex-1-enyl-3-[[1-(2,2-difluoro-ethyl)-piperidin-4-yl]-(trans-4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid methyl ester

HCID 57795509
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(CC(F)F)CC1
InChIKey
JIAZOZWJVJSOKM-UHFFFAOYSA-N
Molecular formula
C27H38F2N2O3S
Average molar mass
508.7 g/mol
Monoisotopic mass
508.25712058

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-[[1-(2,2-difluoro-ethyl)-piperidin-4-yl]-(trans-4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-(cyclohexen-1-yl)-3-[[1-(2,2-difluoroethyl)piperidin-4-yl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

Names & synonyms

5-cyclohex-1-enyl-3-[[1-(2,2-difluoro-ethyl)-piperidin-4-yl]-(trans-4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid methyl esterSCHEMBL2107627SCHEMBL2107629JIAZOZWJVJSOKM-KESTWPANSA-NJIAZOZWJVJSOKM-UHFFFAOYSA-N

Database identifiers

PubChem CID
57795509

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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5-Cyclohex-1-enyl-3-[[1-(2,2-difluoro-ethyl)-piperidin-4-yl]-(trans-4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid methyl ester (HCID 57795509)｜Huagongshe