5-Cyclohex-1-enyl-3-[(3-oxo-octahydro-indolizin-7-yl)-amino]-thiophene-2-carboxylic acid methyl ester

HCID 57795496
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1NC1CCN2C(=O)CCC2C1
InChIKey
XSKJQHJBKMWKSS-UHFFFAOYSA-N
Molecular formula
C20H26N2O3S
Average molar mass
374.5 g/mol
Monoisotopic mass
374.16641387

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-[(3-oxo-octahydro-indolizin-7-yl)-amino]-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-(cyclohexen-1-yl)-3-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]thiophene-2-carboxylate

Names & synonyms

SCHEMBL2106348XSKJQHJBKMWKSS-UHFFFAOYSA-N5-cyclohex-1-enyl-3-[(3-oxo-octahydro-indolizin-7-yl)-amino]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795496

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
86.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

8 records
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Compound notes

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