CK156

CAT: 0607-BA3400-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3400-1Size:1 mg

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CAS Number

2910938-59-7

Form

A solid

Molecular Formula

C21H25N5O3

Molecular Weight

395.45

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide

CAS Number	2910938-59-7
PubChem CID	162623416
IUPAC Name	N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Molecular Formula	C21H25N5O3
Molecular Weight	395.5
XLogP	2.1
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	569

SMILES

CC(C)(C)NC(=O)C1=C2C=C(C=C1)C3=C4N=C(C=CN4N=C3)NCCOCCO2

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)25-20(27)15-5-4-14-12-17(15)29-11-10-28-9-7-22-18-6-8-26-19(24-18)16(14)13-23-26/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,24)(H,25,27)

InChIKey

YCFFONJEHNSECY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2910938-59-7

CID: 162623416

Formula: C21H25N5O3

MW: 395.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	395.5
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	395.19573968
Monoisotopic Mass	395.19573968
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	569
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

Alternative Products

Catalog	Name
GTR19186679-01	CK156

CK156

Chemical Information

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