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Home > Pyridines > 667466-69-5
667466-69-5 | 3(2H)-Pyridazinone, 6-(2-phenoxathiinyl)-4-(phenylmethyl)-
CAS No: 667466-69-5 Catalog No: AG00H6SC MDL No:
Product Description
Catalog Number:
AG00H6SC
Chemical Name:
3(2H)-Pyridazinone, 6-(2-phenoxathiinyl)-4-(phenylmethyl)-
CAS Number:
667466-69-5
Molecular Formula:
C23H16N2O2S
Molecular Weight:
384.4503
IUPAC Name:
5-benzyl-3-phenoxathiin-2-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C23H16N2O2S/c26-23-17(12-15-6-2-1-3-7-15)13-18(24-25-23)16-10-11-20-22(14-16)28-21-9-5-4-8-19(21)27-20/h1-11,13-14H,12H2,(H,25,26)
InChI Key:
GNHOJMDXZQLCRV-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(cc1Cc1ccccc1)c1ccc2c(c1)Sc1c(O2)cccc1
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.093g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.453g/mol
Monoisotopic Mass:
384.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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