MC2590

CAT: 0127-BUP02245-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02245-02Size:5 mg

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

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CAS Number

2284460-01-9

Purity

=98%

Smiles

C(C(NC=1C=CC(C=CC(NO)=O)=NC1)=O)C=2C3=C(C=CC2)C=CC=C3

Chemical Information

(E)-N-hydroxy-3-[5-[(2-naphthalen-1-ylacetyl)amino]-2-pyridinyl]prop-2-enamide

CAS Number	2284460-01-9
PubChem CID	155555345
IUPAC Name	(E)-N-hydroxy-3-[5-[(2-naphthalen-1-ylacetyl)amino]-2-pyridinyl]prop-2-enamide
Molecular Formula	C20H17N3O3
Molecular Weight	347.4
XLogP	2.1
Topological Polar Surface Area	91.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	522

SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC3=CN=C(C=C3)/C=C/C(=O)NO

InChI

InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+

InChIKey

DTNVLAIWDVXDJR-ZHACJKMWSA-N

Chemical Structure

2D Structure

CAS: 2284460-01-9

CID: 155555345

Formula: C20H17N3O3

MW: 347.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.4
XLogP3	2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	347.12699141
Monoisotopic Mass	347.12699141
Topological Polar Surface Area	91.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	522
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5815640	MC2590