Basic information
- Standard SMILES
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccccc2C(C)O)c1.O=C(O)C(F)(F)F- InChIKey
WRMDLTLFDSXKDA-UHFFFAOYSA-N- Molecular formula
- C22H21F3N2O5S3
- Average molar mass
- 546.6 g/mol
Names & identifiers
- Preferred name
- 4-[2'-(1-Hydroxy-ethyl)-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate
- IUPAC
- 4-[3-[2-(1-hydroxyethyl)phenyl]phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide;2,2,2-trifluoroacetic acid
Names & synonyms
4-[2'-(1-Hydroxy-ethyl)-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetateSCHEMBL5841254
Database identifiers
- PubChem CID
- 21886360
Properties
Computed structural properties
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
Loading…