N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

HCID 10458488

Basic information

Standard SMILES
CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2s1)CC(O)c1ccccc1
InChIKey
ROOZBWRQVMVZNG-UHFFFAOYSA-N
Molecular formula
C26H26ClN3O3S
Average molar mass
496 g/mol
Monoisotopic mass
495.1383406

Names & identifiers

Preferred name
N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

Names & synonyms

CHEMBL245291N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideSCHEMBL6710719ROOZBWRQVMVZNG-UHFFFAOYSA-NBDBM50210612N-(4-Chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)-amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide

Database identifiers

PubChem CID
10458488
ChEMBL
CHEMBL245291

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
34

Related reactions

3 records

Compound notes

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