4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Basic information
- CAS
5912-85-6- Standard SMILES
O=C(C1CCC1)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1- InChIKey
QJXVMWDZHPJOOT-UHFFFAOYSA-N- Molecular formula
- C25H23F2NO4S
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.13158571
Names & identifiers
- Preferred name
- 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
- IUPAC
- [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
Names & synonyms
5912-85-6DTXSID104127314-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate4-({N-[(4-Fluorophenyl)methyl]cyclobutanecarboxamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Database identifiers
- CAS
5912-85-6- PubChem CID
- 5243449
- DTXSID
DTXSID10412731
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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