Methyl 4-bromo-2-(2-(isoquinolin-5-yl)acetamido)thiophene-3-carboxylate

HCID 59636688
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Basic information

Standard SMILES
COC(=O)c1c(Br)csc1NC(=O)Cc1cccc2cnccc12
InChIKey
UZWFCYPVAINITD-UHFFFAOYSA-N
Molecular formula
C17H13BrN2O3S
Average molar mass
405.3 g/mol

Names & identifiers

Preferred name
Methyl 4-bromo-2-(2-(isoquinolin-5-yl)acetamido)thiophene-3-carboxylate
IUPAC
methyl 4-bromo-2-[(2-isoquinolin-5-ylacetyl)amino]thiophene-3-carboxylate

Names & synonyms

SCHEMBL3713231SCHEMBL29456222UZWFCYPVAINITD-UHFFFAOYSA-NMethyl 4-bromo-2-(2-(isoquinolin-5-yl)acetamido)thiophene-3-carboxylate

Database identifiers

PubChem CID
59636688

Properties

Computed structural properties

XLogP
4
Topological polar surface area
96.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

Related reactions

9 records
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Compound notes

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