Products for Research Use Only

Anguizole 50mg

CAT: 0628-A11294-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A11294-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
442666-98-0

Chemical Information

Anguizole
CAS Number442666-98-0
PubChem CID1046082
IUPAC Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Molecular FormulaC17H11ClF2N4O2S
Molecular Weight408.8
XLogP3.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity561
SMILES
C1=COC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)Cl)C(=O)NCC4=CC=CS4
InChI
InChI=1S/C17H11ClF2N4O2S/c18-17(19,20)14-7-11(13-4-1-5-26-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-2-6-27-10/h1-8H,9H2,(H,21,25)
InChIKey
GBNREAYNZPJROB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anguizole
CAS: 442666-98-0
CID: 1046082
Formula: C17H11ClF2N4O2S
MW: 408.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.8
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass408.0259308
Monoisotopic Mass408.0259308
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity561
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