AAPK-25 50mg

CAT: 0628-A19085-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19085-50Size:50 mg

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

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CAS Number

2247919-28-2

Chemical Information

6-(3,4-Dichlorobenzamido)-N-(thiazol-2-yl)-2-naphthamide

CAS Number	2247919-28-2
PubChem CID	138911334
IUPAC Name	6-[(3,4-dichlorobenzoyl)amino]-N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
Molecular Formula	C21H13Cl2N3O2S
Molecular Weight	442.3
XLogP	5.5
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	610

SMILES

C1=CC2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C=C1C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H13Cl2N3O2S/c22-17-6-4-15(11-18(17)23)19(27)25-16-5-3-12-9-14(2-1-13(12)10-16)20(28)26-21-24-7-8-29-21/h1-11H,(H,25,27)(H,24,26,28)

InChIKey

MRITYVDXXFOOAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2247919-28-2

CID: 138911334

Formula: C21H13Cl2N3O2S

MW: 442.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	442.3
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	441.0105532
Monoisotopic Mass	441.0105532
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	610
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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