UNC6934

CAT: 0127-BUP07932-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07932-05Size:100 mg

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CAS Number

2561494-77-5

Purity

=98%

Smiles

O=C(Nc1ccncn1)c1ccc(CN(C2CC2)C(=O)c2ccc3NC(=O)COc3c2)cc1

Chemical Information

N-cyclopropyl-3-oxo-N-(4-(pyrimidin-4-ylcarbamoyl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide

CAS Number	2561494-77-5
PubChem CID	146676966
IUPAC Name	N-cyclopropyl-3-oxo-N-[[4-(pyrimidin-4-ylcarbamoyl)phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide
Molecular Formula	C24H21N5O4
Molecular Weight	443.5
XLogP	1.8
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	736

SMILES

C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=NC=NC=C3)C(=O)C4=CC5=C(C=C4)NC(=O)CO5

InChI

InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)

InChIKey

KOZGEDUWAQFVAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2561494-77-5

CID: 146676966

Formula: C24H21N5O4

MW: 443.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.5
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	443.15935417
Monoisotopic Mass	443.15935417
Topological Polar Surface Area	114 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	736
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

Alternative Products

Catalog	Name
C01452-01	UNC6934
A24331-100	UNC6934 100mg
A24331-10	UNC6934 10mg
A24331-50	UNC6934 50mg
A24331-5	UNC6934 5mg

UNC6934

Chemical Information

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