 Home > Encyclopedia > 1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione

1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione

1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione structure

CAS No:
63560-89-4
Formula:
C29H42N4O6
Chemical Name:
1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione

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1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione Basic Attributes

Molecular Weight：

542.66700

Exact Mass：

542.31043507

DSSTox ID：

DTXSID50628576

Characteristics

PSA：

115.38000

XLogP3：

4.17500

Density：

1.19g/cm3

Boiling Point：

642.6ºC at 760 mmHg

Refractive Index：

1.575

Drug Information

MeSH Entry Terms：

bis(1,3-dibutylbarbituric acid)pentamethine oxonol

Computed Properties

Molecular Weight:542.7
XLogP3:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:15
Exact Mass:542.31043507
Monoisotopic Mass:542.31043507
Topological Polar Surface Area:115
Heavy Atom Count:39
Complexity:969
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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