Basic information
- Standard SMILES
CC(C)(C)OC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1- InChIKey
UILGPHUYYOGWOO-NTEUORMPSA-N- Molecular formula
- C23H23NO4S
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- (E)-3-[1-(Biphenyl-4-sulfonyl)-1H-pyrrol-3-yl]-acrylic acid tert-butyl ester
- IUPAC
- tert-butyl (E)-3-[1-(4-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enoate
Names & synonyms
SCHEMBL295895UILGPHUYYOGWOO-NTEUORMPSA-N(E)-3-[1-(Biphenyl-4-sulfonyl)-1H-pyrrol-3-yl]-acrylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66646172
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 675
Related reactions
6 records
Compound notes
Loading…