Basic information
- Standard SMILES
Cc1cc(F)c(COc2nsc(NC(=O)NCCCN3CCCC3)c2C(N)=O)c(F)c1F- InChIKey
AHTAYKWZFAVPQM-UHFFFAOYSA-N- Molecular formula
- C20H24F3N5O3S
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.1551953
Names & identifiers
- Preferred name
- 5-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide
- IUPAC
- 5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide
Names & synonyms
SCHEMBL378793AHTAYKWZFAVPQM-UHFFFAOYSA-N5-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide
Database identifiers
- PubChem CID
- 10073482
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 646
Related reactions
4 records
Linked notes
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