Wklb 5
Basic information
- CAS
105319-50-4- Standard SMILES
COC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1- InChIKey
CNVARCAHKDHDFC-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO4
- Average molar mass
- 375.8 g/mol
Names & identifiers
- Preferred name
- Wklb 5
- IUPAC
- methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-phenylpropanoate
- English name
- beta-(2-(p-Chlorophenoxy)-2-methylpropionyl)phenylalanine methyl ester
- Molecular formula
- C20H22ClNO4
- Molecular weight
- 375.85
Names & synonyms
Wklb 5Wklb-5105319-50-4beta-(2-(p-Chlorophenoxy)-2-methylpropionyl)phenylalanine methyl esterRefChem:194941DTXSID20909440beta-(2-(4-Dichlorophenoxy)-2-methylpropionyl)phenylalanine methyl ester2-(4-Chlorophenoxy)-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)-2-methylpropanimidic acidDL-Phenylalanine, N-(2-(4-chlorophenoxy)-2-methyl-1-oxopropyl)-, methyl ester
Database identifiers
- CAS
105319-50-4- PubChem CID
- 128353
- DTXSID
DTXSID20909440
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Melting point
- 67 · 67-68 °C(Solvent: Diethyl ether)
- Boiling point
- 545.553 · 545.553±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.207 · 1.207±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.034 · 14.034±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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