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ROCK2-IN-2 25mg

CAT: 0628-A20062-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20062-25Size:25 mg
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CAS Number
1995065-79-6

Chemical Information

Rock2-IN-2
CAS Number1995065-79-6
PubChem CID122507549
IUPAC NameN-(1H-indazol-5-yl)-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
Molecular FormulaC18H12N6OS
Molecular Weight360.4
XLogP3.6
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity485
SMILES
C1=CC(=CC(=C1)C2=NN=C(S2)NC3=CC4=C(C=C3)NN=C4)C5=NC=CO5
InChI
InChI=1S/C18H12N6OS/c1-2-11(16-19-6-7-25-16)8-12(3-1)17-23-24-18(26-17)21-14-4-5-15-13(9-14)10-20-22-15/h1-10H,(H,20,22)(H,21,24)
InChIKey
WFSHRQCWPPIEIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rock2-IN-2
CAS: 1995065-79-6
CID: 122507549
Formula: C18H12N6OS
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass360.07933020
Monoisotopic Mass360.07933020
Topological Polar Surface Area121 Ų
Heavy Atom Count26
Formal Charge0
Complexity485
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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