Basic information
- CAS
1007654-37-6- Standard SMILES
Cc1oc2cc(OCC(=O)NCC(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1- InChIKey
OXQAJMMPNDZPOH-UHFFFAOYSA-N- Molecular formula
- C20H16ClNO6
- Average molar mass
- 401.8 g/mol
Names & identifiers
- Preferred name
- N-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)glycine
- IUPAC
- 2-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
- English name
- N-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)glycine
- Molecular formula
- C20H16ClNO6
- Molecular weight
- 401.8
Names & synonyms
N-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)glycine1007654-37-6EiM07-30727STK718019AKOS005534541NCGC00316975-01AB01313102-012-(2-((3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)acetamido)acetic acidN-({[2-methyl-4-oxo-3-(4-chlorophenyl)-4h-chromen-7-yl]oxy}acetyl)glycineGlycine, N-[2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]acetyl]-
Database identifiers
- CAS
1007654-37-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 701.3 · 701.3±60.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.10(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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