Basic information
- Standard SMILES
C=C(C(=O)NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)N(CC)S(=O)(=O)c1ccc(F)cc1- InChIKey
PXEPEJFAJMKCOZ-UHFFFAOYSA-N- Molecular formula
- C24H21F4N3O4S
- Average molar mass
- 523.5 g/mol
Names & identifiers
- Preferred name
- 2-[(4-fluorophenyl)sulfonyl-ethyl-amino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridyl]methyl]prop-2-enamide
- IUPAC
- 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]prop-2-enamide
Names & synonyms
2-[(4-fluorophenyl)sulfonyl-ethyl-amino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridyl]methyl]prop-2-enamideSCHEMBL16004877
Database identifiers
- PubChem CID
- 78319909
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 848
Related reactions
2 records
Compound notes
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