CRS400393 10mg

CAT: 0628-A19640-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A19640-10Size:10 mg

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CAS Number

2253175-64-1

Chemical Information

N-(5,7-dichloro-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide

CAS Number	2253175-64-1
PubChem CID	138319692
IUPAC Name	N-(5,7-dichloro-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide
Molecular Formula	C18H20Cl2N2OS
Molecular Weight	383.3
XLogP	6.4
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	507

SMILES

CC12CCCC(C1)(CCC2)C(=O)NC3=NC4=C(S3)C(=CC(=C4)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2OS/c1-17-4-2-6-18(10-17,7-3-5-17)15(23)22-16-21-13-9-11(19)8-12(20)14(13)24-16/h8-9H,2-7,10H2,1H3,(H,21,22,23)

InChIKey

KHJLLQYNCQNVKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2253175-64-1

CID: 138319692

Formula: C18H20Cl2N2OS

MW: 383.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.3
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	382.0673398
Monoisotopic Mass	382.0673398
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	507
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
MBS3844093-01	CRS400393
CS20	Cagrisema (10mg+10mg)
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CS5	Cagrilintide 10mg+Semaglutide 10mg
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BT-20	Blend BPC157 10mg + TB500 10mg
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