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
- Formal charge
- 0
- Complexity
- 651
Related reactions
4 records
Compound notes
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