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Nav1.7-IN-2

CAT: 0607-BA7005-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA7005-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1332295-35-8
Form
A solid
Molecular Formula
C22H22FN5O2
Molecular Weight
407.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Nav1.7-IN-2
CAS Number1332295-35-8
PubChem CID53348208
IUPAC Name3-[[4-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-N-methylbenzamide
Molecular FormulaC22H22FN5O2
Molecular Weight407.4
XLogP3.8
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity576
SMILES
CC1=C(C=CC(=C1)F)OC2CN(C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)NC
InChI
InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKey
MFAKJGXMORSMIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nav1.7-IN-2
CAS: 1332295-35-8
CID: 53348208
Formula: C22H22FN5O2
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass407.17575312
Monoisotopic Mass407.17575312
Topological Polar Surface Area79.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity576
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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