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Methyl 5-[4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

HCID 77236166
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Basic information

Standard SMILES
COC(=O)c1cnc(N2CCN(c3nnc(Oc4ccccc4)c(C)c3C)CC2C)cn1
InChIKey
WQIMIROLWDYIRP-UHFFFAOYSA-N
Molecular formula
C23H26N6O3
Average molar mass
434.5 g/mol

Names & identifiers

Preferred name
Methyl 5-[4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
IUPAC
methyl 5-[4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

Database identifiers

PubChem CID
77236166

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
93.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
619

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Related reactions

1 records
New reaction record
HRID 304845 reaction equation
HRID 304845As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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