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N-(3-methoxy-5,6-dimethylpyrazin-2-yl)-4-(2-methylthiophen-3-yl)piperazine-1-carboxamide

HCID 69823745
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1nc(C)c(C)nc1NC(=O)N1CCN(c2ccsc2C)CC1
InChIKey
GGKZYXYBQCPIPQ-UHFFFAOYSA-N
Molecular formula
C17H23N5O2S
Average molar mass
361.5 g/mol

Names & identifiers

Preferred name
N-(3-methoxy-5,6-dimethylpyrazin-2-yl)-4-(2-methylthiophen-3-yl)piperazine-1-carboxamide
IUPAC
N-(3-methoxy-5,6-dimethylpyrazin-2-yl)-4-(2-methylthiophen-3-yl)piperazine-1-carboxamide

Names & synonyms

SCHEMBL6559720

Database identifiers

PubChem CID
69823745

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
98.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
460

Related reactions

1 records
New reaction record
HRID 2325430 reaction equation
HRID 2325430As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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