EHT 5372 50mg

CAT: 0628-A12586-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A12586-50Size:50 mg

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

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CAS Number

1425945-60-3

Chemical Information

Methyl 9-((2-fluoro-4-methoxyphenyl)amino)thiazolo[5,4-f]quinazoline-2-carbimidate

CAS Number	1425945-60-3
PubChem CID	71529602
IUPAC Name	methyl 9-(2-fluoro-4-methoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
Molecular Formula	C18H14FN5O2S
Molecular Weight	383.4
XLogP	4.2
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	544

SMILES

COC1=CC(=C(C=C1)NC2=NC=NC3=C2C4=C(C=C3)N=C(S4)C(=N)OC)F

InChI

InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)

InChIKey

RYBNARZBIXTFJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1425945-60-3

CID: 71529602

Formula: C18H14FN5O2S

MW: 383.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.4
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	383.08522404
Monoisotopic Mass	383.08522404
Topological Polar Surface Area	121 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	544
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

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