1,3-bis[4-(2-pyridylthio)butyl]quinazoline-2,4(1H,3H)-dione

HCID 19079232
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Basic information

Standard SMILES
O=c1c2ccccc2n(CCCCSc2ccccn2)c(=O)n1CCCCSc1ccccn1
InChIKey
NEOISJQKJGNRCT-UHFFFAOYSA-N
Molecular formula
C26H28N4O2S2
Average molar mass
492.7 g/mol

Names & identifiers

Preferred name
1,3-bis[4-(2-pyridylthio)butyl]quinazoline-2,4(1H,3H)-dione
IUPAC
1,3-bis(4-pyridin-2-ylsulfanylbutyl)quinazoline-2,4-dione

Names & synonyms

SCHEMBL8794106NEOISJQKJGNRCT-UHFFFAOYSA-N1,3-bis[4-(2-pyridylthio)butyl]quinazoline-2,4(1H,3H)-dione1,3-bis[4-(2-pyridylthio)butyl]-quinazoline-2,4(1H,3H)-dione

Database identifiers

PubChem CID
19079232

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
117 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
34

Related reactions

5 records
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Compound notes

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