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20358-29-6 | 3,5-Pyrazolidinedione, 4-[3-(3-bromo-4-methylphenyl)-3-oxopropyl]-1,2-diphenyl-
CAS No: 20358-29-6 Catalog No: AG00290B MDL No:
Product Description
Catalog Number:
AG00290B
Chemical Name:
3,5-Pyrazolidinedione, 4-[3-(3-bromo-4-methylphenyl)-3-oxopropyl]-1,2-diphenyl-
CAS Number:
20358-29-6
Molecular Formula:
C25H21BrN2O3
Molecular Weight:
477.3498
IUPAC Name:
4-[3-(3-bromo-4-methylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
InChI:
InChI=1S/C25H21BrN2O3/c1-17-12-13-18(16-22(17)26)23(29)15-14-21-24(30)27(19-8-4-2-5-9-19)28(25(21)31)20-10-6-3-7-11-20/h2-13,16,21H,14-15H2,1H3
InChI Key:
PLFPADDCCMKBDS-UHFFFAOYSA-N
SMILES:
O=C1C(CCC(=O)c2ccc(c(c2)Br)C)C(=O)N(N1c1ccccc1)c1ccccc1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.074g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.358g/mol
Monoisotopic Mass:
476.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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