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3,6-diethyl-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine

HCID 22147407
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1nc(-c2ccc(OC)cc2C)c(CC)nc1NC1c2ccccc2CC1OCCF
InChIKey
DUKIHFCICCAYKM-UHFFFAOYSA-N
Molecular formula
C27H32FN3O2
Average molar mass
449.6 g/mol

Names & identifiers

Preferred name
3,6-diethyl-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
IUPAC
3,6-diethyl-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine

Database identifiers

PubChem CID
22147407

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
56.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Formal charge
0
Complexity
596

Related reactions

1 records
New reaction record
HRID 197833 reaction equation
HRID 197833As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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