Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
Dimethylamino 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
HCID
19090490
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)ON(C)C)n1
InChIKey
NCVDJOJJPATADT-UHFFFAOYSA-N
Molecular formula
C15H16ClN3O5
Average molar mass
353.76 g/mol
Names & identifiers
Preferred name
Dimethylamino 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
IUPAC
dimethylamino 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
Names & synonyms
SCHEMBL9046476
Database identifiers
PubChem CID
19090490
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
83 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
403
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
1568604
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
Loading…