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HJC0416

CAT: 0013-GTR19200237-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200237-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HJC0416
CAS Number
1617518-22-5
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=S1 (=O) C=2C (C=C1) =CC=C (NC (=O) C3=C (OCCCN) C=CC (Cl) =C3) C2
Molecular Formula
C18H17ClN2O4S
Molecular Weight
392.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-aminopropoxy)-5-chloro-N-(1,1-dioxo-1-benzothiophen-6-yl)benzamide
CAS Number1617518-22-5
PubChem CID77105973
IUPAC Name2-(3-aminopropoxy)-5-chloro-N-(1,1-dioxo-1-benzothiophen-6-yl)benzamide
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.9
XLogP2.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity634
SMILES
C1=CC(=CC2=C1C=CS2(=O)=O)NC(=O)C3=C(C=CC(=C3)Cl)OCCCN
InChI
InChI=1S/C18H17ClN2O4S/c19-13-3-5-16(25-8-1-7-20)15(10-13)18(22)21-14-4-2-12-6-9-26(23,24)17(12)11-14/h2-6,9-11H,1,7-8,20H2,(H,21,22)
InChIKey
AUTAJMGNRLHARZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-aminopropoxy)-5-chloro-N-(1,1-dioxo-1-benzothiophen-6-yl)benzamide
CAS: 1617518-22-5
CID: 77105973
Formula: C18H17ClN2O4S
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.9
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass392.0597559
Monoisotopic Mass392.0597559
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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