Basic information
- CAS
335390-66-4- Standard SMILES
O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(OCc2ccccc2)cc1- InChIKey
YCWAJOLDLKOXGZ-UHFFFAOYSA-N- Molecular formula
- C23H21NO6S
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Benzyloxy)phenyl]-2-oxoethyl [(phenylsulfonyl)amino]acetate
- IUPAC
- [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(benzenesulfonamido)acetate
- English name
- 2-[4-(benzyloxy)phenyl]-2-oxoethyl [(phenylsulfonyl)amino]acetate
- Molecular formula
- C23H21NO6S
- Molecular weight
- 439.48
Names & synonyms
2-[4-(benzyloxy)phenyl]-2-oxoethyl [(phenylsulfonyl)amino]acetate[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(benzenesulfonamido)acetateAKOS000748628AK-918/15224004SR-01000316400SR-01000316400-12-[4-(BENZYLOXY)PHENYL]-2-OXOETHYL 2-[(PHENYLSULFONYL)AMINO]ACETATEGlycine, N-(phenylsulfonyl)-, 2-oxo-2-[4-(phenylmethoxy)phenyl]ethyl ester
Database identifiers
- CAS
335390-66-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Boiling point
- 633.3 · 633.3±65.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 8.51 · 8.51±0.40(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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