3-(4-Chloro-2,6-difluoro-benzyloxy)-5-(3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido)-isothiazole-4-carboxylic acid amide-hydrochloride salt

HCID 68501966

Basic information

Standard SMILES
CN1CCN(CCCNC(=O)Nc2snc(OCc3c(F)cc(Cl)cc3F)c2C(N)=O)CC1.Cl
InChIKey
SYMMWKBRFZWODX-UHFFFAOYSA-N
Molecular formula
C20H26Cl2F2N6O3S
Average molar mass
539.4 g/mol

Names & identifiers

Preferred name
3-(4-Chloro-2,6-difluoro-benzyloxy)-5-(3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido)-isothiazole-4-carboxylic acid amide-hydrochloride salt
IUPAC
3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide;hydrochloride

Names & synonyms

3-(4-chloro-2,6-difluoro-benzyloxy)-5-(3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido)-isothiazole-4-carboxylic acid amide-hydrochloride salt3-(4-chloro-2,6-difluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic acid amide-hydrochloride saltSCHEMBL3073925SYMMWKBRFZWODX-UHFFFAOYSA-N3-(4-chloro-2,6-difluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido} -isothiazole-4-carboxylic acid amide-hydrochloride salt

Database identifiers

PubChem CID
68501966

Properties

Computed structural properties

Topological polar surface area
141 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
34

Related reactions

4 records

Compound notes

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