1-(3-(6,7-Dimethoxyquinazolin-4-ylthio)phenyl)-3-(1-m-tolyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)urea

HCID 44243136
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4cccc(C)c4)c3)c2cc1OC
InChIKey
GIGDGEFZPQLQGW-UHFFFAOYSA-N
Molecular formula
C28H23F3N6O3S
Average molar mass
580.6 g/mol

Names & identifiers

Preferred name
1-(3-(6,7-Dimethoxyquinazolin-4-ylthio)phenyl)-3-(1-m-tolyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)urea
IUPAC
1-[3-(6,7-dimethoxyquinazolin-4-yl)sulfanylphenyl]-3-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea

Names & synonyms

1-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)-3-(1-m-tolyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)ureaSCHEMBL1781621

Database identifiers

PubChem CID
44243136

Properties

Computed structural properties

XLogP
6
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

Loading…