Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F- InChIKey
DMBIVRADAQWNSX-UHFFFAOYSA-N- Molecular formula
- C21H22F4N4O3S
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.1348744
Names & identifiers
- Preferred name
- N-(3-Fluoro-4-methanesulfonylamino-benzyl)-3-(2-pyrrolidin-1-yl-6-trifluoromethyl-pyridin-3-yl)-acrylamide
- IUPAC
- N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
Names & synonyms
N-(3-Fluoro-4-methanesulfonylamino-benzyl)-3-(2-pyrrolidin-1-yl-6-trifluoromethyl-pyridin-3-yl)-acrylamideSCHEMBL3771214
Database identifiers
- PubChem CID
- 68779706
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 796
Related reactions
2 records
Compound notes
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