Ulonivirine

CAT: 0607-BA1935-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1935-25Size:25 mg

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CAS Number

1591823-76-5

Form

A solid

Molecular Formula

C18H8ClF6N5O3

Molecular Weight

491.73

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ulonivirine

Ulonivirine is an investigational drugthat is being studied to treat HIV.

CAS Number	1591823-76-5
PubChem CID	73505111
IUPAC Name	3-chloro-5-[6-oxo-1-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
Molecular Formula	C18H8ClF6N5O3
Molecular Weight	491.7
XLogP	2.7
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	1020

SMILES

C1=C(C=C(C=C1OC2=C(N=CN(C2=O)CC3=NNC(=O)C(=C3)C(F)(F)F)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C18H8ClF6N5O3/c19-9-1-8(5-26)2-11(3-9)33-13-14(18(23,24)25)27-7-30(16(13)32)6-10-4-12(17(20,21)22)15(31)29-28-10/h1-4,7H,6H2,(H,29,31)

InChIKey

YSFHLBYWQCLYIY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1591823-76-5

CID: 73505111

Formula: C18H8ClF6N5O3

MW: 491.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	491.7
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	491.0219858
Monoisotopic Mass	491.0219858
Topological Polar Surface Area	107 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-147411-01	Ulonivirine