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Smurf1-IN-1

CAT: 0607-BA7396-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7396-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1824708-03-3
Form
A solid
Molecular Formula
C24H29ClN6O2
Molecular Weight
468.98
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Smurf1-IN-1
CAS Number1824708-03-3
PubChem CID118513267
IUPAC Name1-(2-chloro-4-cyclopropylphenyl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-methyltriazole-4-carboxamide
Molecular FormulaC24H29ClN6O2
Molecular Weight469.0
XLogP5
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity811
SMILES
CC1=C(C(=O)N(N1C)C2CCCCC2)NC(=O)C3=C(N(N=N3)C4=C(C=C(C=C4)C5CC5)Cl)C
InChI
InChI=1S/C24H29ClN6O2/c1-14-22(24(33)31(29(14)3)18-7-5-4-6-8-18)26-23(32)21-15(2)30(28-27-21)20-12-11-17(13-19(20)25)16-9-10-16/h11-13,16,18H,4-10H2,1-3H3,(H,26,32)
InChIKey
DJCHYTWZRDUVHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Smurf1-IN-1
CAS: 1824708-03-3
CID: 118513267
Formula: C24H29ClN6O2
MW: 469.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight469.0
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass468.2040519
Monoisotopic Mass468.2040519
Topological Polar Surface Area83.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity811
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