Basic information
- Standard SMILES
Cc1cc(F)c(COc2nsc(NC(=O)NCCCN3CCCC3)c2C(N)=O)c(F)c1- InChIKey
QYQQDBQNTUOFJL-UHFFFAOYSA-N- Molecular formula
- C20H25F2N5O3S
- Average molar mass
- 453.5 g/mol
Names & identifiers
- Preferred name
- 3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-pyrrolidin-1-yl-propyl)-ureido]-isothiazole-4-carboxylic acid amide
- IUPAC
- 3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
Names & synonyms
SCHEMBL378401QYQQDBQNTUOFJL-UHFFFAOYSA-N3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-pyrrolidin-1-yl-propyl)-ureido]-isothiazole-4-carboxylic acid amide
Database identifiers
- PubChem CID
- 10072613
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 601
Related reactions
5 records
Compound notes
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