Basic information
- Standard SMILES
C[C@H](NC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C- InChIKey
PSBVJRQVHJUTIV-ZDUSSCGKSA-N- Molecular formula
- C23H22ClF6N3O2S
- Average molar mass
- 553.9 g/mol
Names & identifiers
- Preferred name
- (S)-3-[3,5-Bis(trifluoromethyl)phenylamino]-2-(4-chlorophenylsulfonyl)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile
- IUPAC
- 3-[3,5-bis(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonyl-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]prop-2-enenitrile
Names & synonyms
(S)-3-[3,5-Bis(trifluoromethyl)phenylamino]-2-(4-chlorophenylsulfonyl)-3-(1,2,2-trimethylpropylamino)-2-propenenitrileSCHEMBL7635146(S)-3-[3,5Bis(trifluoromethyl)phenylamino]-2-(4-chlorophenylsulfonyl)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile
Database identifiers
- PubChem CID
- 86583733
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 930
Related reactions
2 records
Compound notes
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