(E)-3-(3,5-Di-t-butyl-4-hydroxyphenyl)-2-[(3-phenyl-n-propyl)aminosulfonyl]acrylonitrile
Basic information
- Standard SMILES
CC(C)(C)c1cc(/C=C(\C#N)S(=O)(=O)NCCCc2ccccc2)cc(C(C)(C)C)c1O- InChIKey
AAGSRFBUJLTNGN-RCCKNPSSSA-N- Molecular formula
- C26H34N2O3S
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.22901412
Names & identifiers
- Preferred name
- (E)-3-(3,5-Di-t-butyl-4-hydroxyphenyl)-2-[(3-phenyl-n-propyl)aminosulfonyl]acrylonitrile
- IUPAC
- (E)-1-cyano-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(3-phenylpropyl)ethenesulfonamide
Names & synonyms
SCHEMBL5371066AAGSRFBUJLTNGN-RCCKNPSSSA-N(E)-3-(3,5-Di-t-butyl-4-hydroxyphenyl)-2-[(3-phenyl-n-propyl)aminosulfonyl]acrylonitrile
Database identifiers
- PubChem CID
- 15410491
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 760
Related reactions
3 records
Compound notes
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