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Nav1.7-IN-3

CAT: 0607-BA6994-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6994-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1788872-06-9
Form
A solid
Molecular Formula
C17H20ClFN4O2S2
Molecular Weight
430.95
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Nav1.7-IN-3
CAS Number1788872-06-9
PubChem CID118112300
IUPAC Name5-chloro-2-fluoro-4-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
Molecular FormulaC17H20ClFN4O2S2
Molecular Weight431.0
XLogP3.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity625
SMILES
C1CC2(CCCN2C1)CNC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NC=CS4)F
InChI
InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22)
InChIKey
XFWKBJBSEOZBRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nav1.7-IN-3
CAS: 1788872-06-9
CID: 118112300
Formula: C17H20ClFN4O2S2
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass430.0700241
Monoisotopic Mass430.0700241
Topological Polar Surface Area111 Ų
Heavy Atom Count27
Formal Charge0
Complexity625
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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