4-[3-(N-benzyl-N-acetylamino)propylthio]pyridine

HCID 19079243
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Basic information

Standard SMILES
CC(=O)N(CCCSc1ccncc1)Cc1ccccc1
InChIKey
KLERITVQDAHIBZ-UHFFFAOYSA-N
Molecular formula
C17H20N2OS
Average molar mass
300.4 g/mol
Monoisotopic mass
300.12963444

Names & identifiers

Preferred name
4-[3-(N-benzyl-N-acetylamino)propylthio]pyridine
IUPAC
N-benzyl-N-(3-pyridin-4-ylsulfanylpropyl)acetamide

Names & synonyms

SCHEMBL8966322KLERITVQDAHIBZ-UHFFFAOYSA-N4-[3-(N-benzyl-N-acetylamino)propylthio]pyridine4-[3-(N-benzyl-N-acetylamino) propylthio]pyridine

Database identifiers

PubChem CID
19079243

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
58.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
21

Related reactions

6 records
New reaction record

Compound notes

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