N-(6-Methylthioquinolin-5-yl)-2-octanyl-1,3-dithiane-2-carboxamide

HCID 14995437
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Basic information

Standard SMILES
CCCCCCCCC1(C(=O)Nc2c(SC)ccc3ncccc23)SCCCS1
InChIKey
ILJUAADJKVUMAZ-UHFFFAOYSA-N
Molecular formula
C23H32N2OS3
Average molar mass
448.7 g/mol

Names & identifiers

Preferred name
N-(6-Methylthioquinolin-5-yl)-2-octanyl-1,3-dithiane-2-carboxamide
IUPAC
N-(6-methylsulfanylquinolin-5-yl)-2-octyl-1,3-dithiane-2-carboxamide

Names & synonyms

SCHEMBL8856154ILJUAADJKVUMAZ-UHFFFAOYSA-NN-(6-Methylthioquinolin-5-yl)-2-octanyl-1,3-dithiane-2-carboxamide

Database identifiers

PubChem CID
14995437

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
29

Related reactions

4 records
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Compound notes

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