Dazcapistat

CAT: 0127-BUP03214-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03214-06Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2221010-42-8

Purity

=98%

Smiles

Cc1nc(c(o1)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O)-c1ccccc1F

Chemical Information

Dazcapistat

CAS Number	2221010-42-8
PubChem CID	134397000
IUPAC Name	N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
Molecular Formula	C21H18FN3O4
Molecular Weight	395.4
XLogP	2.9
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	611

SMILES

CC1=NC(=C(O1)C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)N)C3=CC=CC=C3F

InChI

InChI=1S/C21H18FN3O4/c1-12-24-17(14-9-5-6-10-15(14)22)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H2,23,27)(H,25,28)

InChIKey

XYQHCMDVGIJOTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2221010-42-8

CID: 134397000

Formula: C21H18FN3O4

MW: 395.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	395.4
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	395.12813423
Monoisotopic Mass	395.12813423
Topological Polar Surface Area	115 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA8293-1	Dazcapistat