N-(2,2-Difluoro-3-morpholin-4-yl-propyl)-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamide

HCID 22019082
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Basic information

Standard SMILES
O=C(NCC(F)(F)CN1CCOCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIKey
LSKJBTJZJSFGRC-UHFFFAOYSA-N
Molecular formula
C23H25F3N6O2S
Average molar mass
506.5 g/mol

Names & identifiers

Preferred name
N-(2,2-Difluoro-3-morpholin-4-yl-propyl)-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamide
IUPAC
N-(2,2-difluoro-3-morpholin-4-ylpropyl)-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

Names & synonyms

N-(2,2-Difluoro-3-morpholin-4-yl-propyl)-4-fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzamideSCHEMBL2858806

Database identifiers

PubChem CID
22019082

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
120 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
35

Related reactions

3 records
New reaction record

Compound notes

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