Basic information
- Standard SMILES
O=C(CS(=O)(=O)O)NCc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1- InChIKey
BWZRBAKIQCNTGD-UHFFFAOYSA-N- Molecular formula
- C27H26F2N2O6S
- Average molar mass
- 544.6 g/mol
Names & identifiers
- Preferred name
- (4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl}benzylcarbamoyl)methanesulfonic Acid
- IUPAC
- 2-[[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]methylamino]-2-oxoethanesulfonic acid
Names & synonyms
SCHEMBL4849326BWZRBAKIQCNTGD-UHFFFAOYSA-N(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl}-benzylcarbamoyl)methanesulfonic acid(4-{1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl}benzylcarbamoyl)methanesulfonic Acid
Database identifiers
- PubChem CID
- 21083138
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 907
Related reactions
2 records
Compound notes
Loading…