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N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methylthiophen-3-yl)piperazine-1-carboxamide

HCID 69945957
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCc1cc(NC(=O)N2CCN(c3ccsc3C)CC2)c(OC)nc1C
InChIKey
PNTYZDSLUGBDJF-UHFFFAOYSA-N
Molecular formula
C19H26N4O2S
Average molar mass
374.5 g/mol

Names & identifiers

Preferred name
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methylthiophen-3-yl)piperazine-1-carboxamide
IUPAC
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methylthiophen-3-yl)piperazine-1-carboxamide

Names & synonyms

SCHEMBL6954299

Database identifiers

PubChem CID
69945957

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
85.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
472

Related reactions

1 records
New reaction record
HRID 2319473 reaction equation
HRID 2319473As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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