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73038-34-3 | 2,4-Dihydro-4-[(6-methoxybenzothiazol-2-yl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
CAS No: 73038-34-3 Catalog No: AG00FP0Y MDL No:
Product Description
Catalog Number:
AG00FP0Y
Chemical Name:
2,4-Dihydro-4-[(6-methoxybenzothiazol-2-yl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
CAS Number:
73038-34-3
IUPAC Name:
(4S,5S)-4-[[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]diazenyl]-5-methyl-2-phenylpyrazolidin-3-one
InChI:
InChI=1S/C20H22N4O2/c1-13-19(20(25)24(23-13)17-6-4-3-5-7-17)22-21-16-10-14-8-9-18(26-2)12-15(14)11-16/h3-9,12-13,16,19,23H,10-11H2,1-2H3/t13-,16-,19-/m0/s1
InChI Key:
UUPLVKMJKILGAK-AXHNFQJDSA-N
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
350.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.422g/mol
Monoisotopic Mass:
350.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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