2-[Bis-(2-methoxy-ethyl)-amino]-5-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-thiazol-4-one

HCID 67347488
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCN(CCOC)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1
InChIKey
LOHJAPMRKDUQCJ-UHFFFAOYSA-N
Molecular formula
C25H24ClF3N4O3S
Average molar mass
553 g/mol
Monoisotopic mass
552.120974

Names & identifiers

Preferred name
2-[Bis-(2-methoxy-ethyl)-amino]-5-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-thiazol-4-one
IUPAC
2-[bis(2-methoxyethyl)amino]-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazol-4-one

Names & synonyms

2-[Bis-(2-methoxy-ethyl)-amino]-5-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-thiazol-4-oneSCHEMBL2283043

Database identifiers

PubChem CID
67347488

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
94.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

Loading…