3-(4-Bromo-2,3,6-trifluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide

HCID 10076619

Basic information

Standard SMILES
CN1CCN(CCCNC(=O)Nc2snc(OCc3c(F)cc(Br)c(F)c3F)c2C(N)=O)CC1
InChIKey
WBXSXEHSIOGYRN-UHFFFAOYSA-N
Molecular formula
C20H24BrF3N6O3S
Average molar mass
565.4 g/mol

Names & identifiers

Preferred name
3-(4-Bromo-2,3,6-trifluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide
IUPAC
3-[(4-bromo-2,3,6-trifluorophenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide

Names & synonyms

SCHEMBL377864WBXSXEHSIOGYRN-UHFFFAOYSA-N3-(4-Bromo-2,3,6-trifluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide

Database identifiers

PubChem CID
10076619

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
141 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
34

Related reactions

4 records

Compound notes

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