Basic information
- Standard SMILES
Cc1cc(F)c(COc2nsc(NC(=O)NCCCCN3CCCC3CO)c2C(N)=O)cc1F- InChIKey
WKCLDWBEDQOPTO-UHFFFAOYSA-N- Molecular formula
- C22H29F2N5O4S
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- 3-(2,5-Difluoro-4-methyl-benzyloxy)-5-{3-[4-(2-hydroxymethyl-pyrrolidin-1-yl)-butyl]-ureido}-isothiazole-4-carboxylic Acid Amide
- IUPAC
- 3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide
Names & synonyms
SCHEMBL377857WKCLDWBEDQOPTO-UHFFFAOYSA-N3-(2,5-Difluoro-4-methyl-benzyloxy)-5-{3-[4-(2-hydroxymethyl-pyrrolidin-1-yl)-butyl] -ureido}-isothiazole-4-carboxylic acid amide3-(2,5-Difluoro-4-methyl-benzyloxy)-5-{3-[4-(2-hydroxymethyl-pyrrolidin-1-yl)-butyl]-ureido}-isothiazole-4-carboxylic Acid Amide
Database identifiers
- PubChem CID
- 9848705
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 681
Related reactions
3 records
Compound notes
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