Basic information
- Standard SMILES
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCCCCS(=O)(=O)O)cc2)N1c1ccc(F)cc1- InChIKey
BPULZCDBMRXTDP-UHFFFAOYSA-N- Molecular formula
- C28H29F2NO6S
- Average molar mass
- 545.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl}phenoxy)butane-1-sulfonic acid
- IUPAC
- 4-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]butane-1-sulfonic acid
Names & synonyms
SCHEMBL4851445BPULZCDBMRXTDP-UHFFFAOYSA-N4-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl}phenoxy)butane-1-sulfonic acid4-(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]4-oxoazetidin-2-yl}phenoxy)butane-1-sulfonic Acid
Database identifiers
- PubChem CID
- 21083141
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 846
Related reactions
2 records
Linked notes
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