5-(3-Benzyloxycarbonylamino-prop-1-ynyl)-thiophene-2-carboxylic acid tert-butyl ester

HCID 54528964
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Basic information

Standard SMILES
CC(C)(C)OC(=O)c1ccc(C#CCNC(=O)OCc2ccccc2)s1
InChIKey
YVCTUNFJMZLQJW-UHFFFAOYSA-N
Molecular formula
C20H21NO4S
Average molar mass
371.5 g/mol

Names & identifiers

Preferred name
5-(3-Benzyloxycarbonylamino-prop-1-ynyl)-thiophene-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 5-[3-(phenylmethoxycarbonylamino)prop-1-ynyl]thiophene-2-carboxylate

Names & synonyms

SCHEMBL5043597YVCTUNFJMZLQJW-UHFFFAOYSA-N5-(3-Benzyloxycarbonylamino-prop-1-ynyl)-thiophene-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
54528964

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
92.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
26

Related reactions

12 records
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Compound notes

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