4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Basic information
- CAS
5963-24-6- Standard SMILES
COc1cc(NC(=O)N(Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)C(C)C)cc(OC)c1- InChIKey
ZBNXHYJYFIIITL-UHFFFAOYSA-N- Molecular formula
- C25H27FN2O6S
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.15738592
Names & identifiers
- Preferred name
- 4-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
- IUPAC
- [4-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate
Names & synonyms
5963-24-6DTXSID504111824-({[(3,5-Dimethoxyphenyl)carbamoyl](propan-2-yl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Database identifiers
- CAS
5963-24-6- PubChem CID
- 5222969
- DTXSID
DTXSID50411182
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 748
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Related reactions
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Compound notes
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