4-({Acetyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amino}methyl)-N-[2-amino-5-(2-thienyl)phenyl]benzamide

HCID 59627261
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Basic information

Standard SMILES
CC(=O)N(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)Cc1cn(C)nn1
InChIKey
MZBJROKNEHJCRA-UHFFFAOYSA-N
Molecular formula
C24H24N6O2S
Average molar mass
460.6 g/mol

Names & identifiers

Preferred name
4-({Acetyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amino}methyl)-N-[2-amino-5-(2-thienyl)phenyl]benzamide
IUPAC
4-[[acetyl-[(1-methyltriazol-4-yl)methyl]amino]methyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

Names & synonyms

SCHEMBL3682589CHEMBL3664140MZBJROKNEHJCRA-UHFFFAOYSA-NBDBM172896US9096559, 1234-({Acetyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amino}methyl)-N-[2-amino-5-(2-thienyl)phenyl]benzamide

Database identifiers

PubChem CID
59627261
ChEMBL
CHEMBL3664140

Properties

Computed structural properties

XLogP
2
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
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Compound notes

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