N-{(1S,2R)-1-(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-[(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methyl]benzamide

HCID 57512019
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(COn3nnc4cccnc43)c2)c1
InChIKey
ZREGHVYORWRUQK-XZWHSSHBSA-N
Molecular formula
C32H32F2N6O3
Average molar mass
586.6 g/mol

Names & identifiers

Preferred name
N-{(1S,2R)-1-(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-[(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methyl]benzamide
IUPAC
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-(triazolo[4,5-b]pyridin-3-yloxymethyl)benzamide

Names & synonyms

SCHEMBL3349529ZREGHVYORWRUQK-XZWHSSHBSA-NN-{(1S,2R)-1-(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-[(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methyl]benzamide

Database identifiers

PubChem CID
57512019

Properties

Computed structural properties

XLogP
5
Topological polar surface area
114 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
43

Related reactions

2 records
New reaction record

Compound notes

Loading…