5-Bromo-3-(2,2-dimethyl-[1,3]dioxan-5-ylamino)-thiophene-2-carboxylic acid methyl ester

HCID 57795429
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Basic information

Standard SMILES
COC(=O)c1sc(Br)cc1NC1COC(C)(C)OC1
InChIKey
PYTFYQSPFFVGMA-UHFFFAOYSA-N
Molecular formula
C12H16BrNO4S
Average molar mass
350.23 g/mol

Names & identifiers

Preferred name
5-Bromo-3-(2,2-dimethyl-[1,3]dioxan-5-ylamino)-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-bromo-3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]thiophene-2-carboxylate

Names & synonyms

SCHEMBL2107515PYTFYQSPFFVGMA-UHFFFAOYSA-N5-bromo-3-(2,2-dimethyl-[1,3]dioxan-5-ylamino)-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795429

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
85 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

Related reactions

7 records
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Compound notes

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