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1245935-40-3 | (S)-BendrofluMethiazide
CAS No: 1245935-40-3 Catalog No: AG009JI6 MDL No:
Product Description
Catalog Number:
AG009JI6
Chemical Name:
(S)-BendrofluMethiazide
CAS Number:
1245935-40-3
IUPAC Name:
(3S)-3-benzyl-1,1-dioxo-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)/t14-/m0/s1
InChI Key:
HDWIHXWEUNVBIY-AWEZNQCLSA-N
UNII:
8G2L3JUW5S
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
421.038g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
421.409g/mol
Monoisotopic Mass:
421.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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