AZD1940

CAT: 0926-GKB41329-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GKB41329-01Size:10 mg

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

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CAS Number

881413-29-2

Smiles

CCOC (=O) N1CCC2=NN=C (C=C2C1) N3CCNCC3

Molecular Formula

C20H29F2N3O2S

Molecular Weight

413.5 g/mol

Controlled

Chemical Information

Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-

CAS Number	881413-29-2
PubChem CID	11675994
IUPAC Name	N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide
Molecular Formula	C20H29F2N3O2S
Molecular Weight	413.5
XLogP	4.5
Topological Polar Surface Area	72.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	635

SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=N2)C(C)(C)C)CC3CCC(CC3)(F)F

InChI

InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3

InChIKey

ZAGGGZCIFUQHOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 881413-29-2

CID: 11675994

Formula: C20H29F2N3O2S

MW: 413.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	413.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	413.19485467
Monoisotopic Mass	413.19485467
Topological Polar Surface Area	72.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	635
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

Catalog	Name
GTR19195498-01	AZD1940