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
- Formal charge
- 0
- Complexity
- 696
Related reactions
4 records
Compound notes
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