Basic information
- Standard SMILES
CCCCc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1cc(C)c(NS(C)(=O)=O)c(F)c1- InChIKey
MTLOXVVNVKTDQC-UHFFFAOYSA-N- Molecular formula
- C22H25F4N3O3S
- Average molar mass
- 487.5 g/mol
Names & identifiers
- Preferred name
- 3-[2-butyl-6-(trifluoromethyl)pyridin-3-yl]-N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]prop-2-enamide
- IUPAC
- 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]prop-2-enamide
Names & synonyms
SCHEMBL3771208MTLOXVVNVKTDQC-UHFFFAOYSA-N3-[2-butyl-6-(trifluoromethyl)pyridin-3-yl]-N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]prop-2-enamide
Database identifiers
- PubChem CID
- 68779701
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 770
Related reactions
1 records
Compound notes
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