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Home > Pyridines > 477872-20-1
477872-20-1 | 5-[4-(benzenesulfonyl)piperazin-1-yl]-6-phenyl-2,3-dihydropyridazin-3-one
CAS No: 477872-20-1 Catalog No: AG00IOK4 MDL No:MFCD02102473
Product Description
Catalog Number:
AG00IOK4
Chemical Name:
5-[4-(benzenesulfonyl)piperazin-1-yl]-6-phenyl-2,3-dihydropyridazin-3-one
CAS Number:
477872-20-1
Molecular Formula:
C20H20N4O3S
Molecular Weight:
396.4628
MDL Number:
MFCD02102473
IUPAC Name:
4-[4-(benzenesulfonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
InChI:
InChI=1S/C20H20N4O3S/c25-19-15-18(20(22-21-19)16-7-3-1-4-8-16)23-11-13-24(14-12-23)28(26,27)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,25)
InChI Key:
HAHUQOWTCCTZQE-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c(c1)N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.126g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.465g/mol
Monoisotopic Mass:
396.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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