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SGC-AAK1-1

CAT: 0607-BA8402-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8402-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2247894-32-0
Form
A solid
Molecular Formula
C21H25N5O3S
Molecular Weight
427.52
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Sgc aak1 1
CAS Number2247894-32-0
PubChem CID134812845
IUPAC NameN-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
Molecular FormulaC21H25N5O3S
Molecular Weight427.5
XLogP2.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity704
SMILES
CCN(CC)S(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4
InChI
InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)
InChIKey
UCBIQZUJJSVQHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sgc aak1 1
CAS: 2247894-32-0
CID: 134812845
Formula: C21H25N5O3S
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass427.16781085
Monoisotopic Mass427.16781085
Topological Polar Surface Area116 Ų
Heavy Atom Count30
Formal Charge0
Complexity704
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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