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

HCID 57795385
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCC(n2cncn2)CC1
InChIKey
SCTGGEQFOGRINW-UHFFFAOYSA-N
Molecular formula
C28H38N4O3S
Average molar mass
510.7 g/mol
Monoisotopic mass
510.26646226

Names & identifiers

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

Names & synonyms

SCHEMBL2108354SCHEMBL2108355SCTGGEQFOGRINW-RPCDJPHFSA-N5-cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-(4-[1,2,4]triazol-1-yl-cyclohexyl)-amino]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795385

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
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Compound notes

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