5-Cyclohex-1-enyl-3-phenylamino-thiophene-2-carboxylic acid methyl ester

HCID 57795360
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1Nc1ccccc1
InChIKey
UEARGZRWCIVDOO-UHFFFAOYSA-N
Molecular formula
C18H19NO2S
Average molar mass
313.4 g/mol
Monoisotopic mass
313.11365002

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-phenylamino-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 3-anilino-5-(cyclohexen-1-yl)thiophene-2-carboxylate

Names & synonyms

SCHEMBL2107656UEARGZRWCIVDOO-UHFFFAOYSA-N5-cyclohex-1-enyl-3-phenylamino-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795360

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
66.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Related reactions

8 records
New reaction record

Linked notes

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