Basic information
- Standard SMILES
Cc1nn(-c2cc(OC(C)C(=O)NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)c(Cl)cc2F)c(=O)n1C(F)F- InChIKey
LTHIEHPYVCZYFE-UHFFFAOYSA-N- Molecular formula
- C23H22ClF3N4O6S
- Average molar mass
- 575 g/mol
Names & identifiers
- Preferred name
- N-(2,3-dihydro-2,2-dimethylbenzofuran-5-yl)sulfonyl-2-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]propionamide
- IUPAC
- 2-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)sulfonyl]propanamide
Names & synonyms
N-(2,3-dihydro-2,2-dimethylbenzofuran-5-yl)sulfonyl-2-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]propionamideSCHEMBL10690860
Database identifiers
- PubChem CID
- 20139698
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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