Home Other Building Blocks rac Bendroflumethiazide-d5

rac Bendroflumethiazide-d5

CAS No.:
1330183-13-5
Catalog Number:
AG009EDJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009EDJ
Chemical Name:
rac Bendroflumethiazide-d5
CAS Number:
1330183-13-5
MDL Number:
MFCD08460938
IUPAC Name:
1,1-dioxo-3-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI:
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)/i1D,2D,3D,4D,5D
InChI Key:
HDWIHXWEUNVBIY-RALIUCGRSA-N
Properties
Complexity:
740  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.069g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
5  
Molecular Weight:
426.44g/mol
Monoisotopic Mass:
426.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties