diBA-(5)-C4

Ligand id: 4176

Name: diBA-(5)-C4

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 118.54
Molecular weight 542.31
XLogP 4.72
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione
Synonyms
bis-(1,3-dibutylbarbituric acid)pentamethine oxanol | oxalon dye
Database Links
PubChem CID 2733616
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Search UniChem for chemical match using the InChIKey CQAPPGVBCMJDML-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CQAPPGVBCMJDML