Basic information
- Standard SMILES
Cc1ccc(COc2nsc(NC(=O)NCCCN3CCN(C)CC3)c2C(N)=O)c(F)c1- InChIKey
HFCXEWPMPAOGBM-UHFFFAOYSA-N- Molecular formula
- C21H29FN6O3S
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- 3-(2-Fluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide
- IUPAC
- 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
Names & synonyms
SCHEMBL377825HFCXEWPMPAOGBM-UHFFFAOYSA-N3-(2-Fluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido} -isothiazole-4-carboxylic acid amide3-(2-Fluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide
Database identifiers
- PubChem CID
- 9847277
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 624
Related reactions
4 records
Compound notes
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