S26131

CAT: 0957-E0875-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-E0875-02Size:25 mg

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Description

MT1MT2

CAS Number

296280-56-3

Molecular Formula

C31H34N2O4 313424

Chemical Information

N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide

CAS Number	296280-56-3
PubChem CID	9870523
IUPAC Name	N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
Molecular Formula	C31H34N2O4
Molecular Weight	498.6
XLogP	5.6
Topological Polar Surface Area	76.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	37
Formal Charge	0
Complexity	657

SMILES

CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3

InChI

InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)

InChIKey

NSXBZYDTTKLTOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 296280-56-3

CID: 9870523

Formula: C31H34N2O4

MW: 498.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.6
XLogP3	5.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	498.25185757
Monoisotopic Mass	498.25185757
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	657
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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Catalog	Name
BA5551-10	S26131

S26131

Chemical Information

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