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27825-09-8 | 5,5'-Bi-2-pyrazoline, 1,1'-diacetyl-3,3'-diphenyl- (8CI)
CAS No: 27825-09-8 Catalog No: AG002UUM MDL No:
Product Description
Catalog Number:
AG002UUM
Chemical Name:
5,5'-Bi-2-pyrazoline, 1,1'-diacetyl-3,3'-diphenyl- (8CI)
CAS Number:
27825-09-8
Molecular Formula:
C22H22N4O2
Molecular Weight:
374.4357
IUPAC Name:
1-[3-(2-acetyl-5-phenyl-3,4-dihydropyrazol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
InChI:
InChI=1S/C22H22N4O2/c1-15(27)25-21(13-19(23-25)17-9-5-3-6-10-17)22-14-20(24-26(22)16(2)28)18-11-7-4-8-12-18/h3-12,21-22H,13-14H2,1-2H3
InChI Key:
URGLOQXDUSAPAI-UHFFFAOYSA-N
SMILES:
CC(=O)N1N=C(CC1C1CC(=NN1C(=O)C)c1ccccc1)c1ccccc1
NSC Number:
114467
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.444g/mol
Monoisotopic Mass:
374.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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