Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)[C@@H]1c2c(F)ccc(F)c2OC[C@H]1COCCO- InChIKey
GJQGRLPULSPGGV-ZMZPIMSZSA-N- Molecular formula
- C18H17ClF2O5S
- Average molar mass
- 418.8 g/mol
Names & identifiers
- Preferred name
- 2-[trans-4-(4-Chloro-benzenesulfonyl)-5,8-difluoro-chroman-3-ylmethoxy]-ethanol
- IUPAC
- 2-[[(3R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]methoxy]ethanol
Names & synonyms
2-[trans-4-(4-Chloro-benzenesulfonyl)-5,8-difluoro-chroman-3-ylmethoxy]-ethanolSCHEMBL1364310GJQGRLPULSPGGV-ZMZPIMSZSA-N
Database identifiers
- PubChem CID
- 58950498
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
Loading…