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88172-31-0 | Propanediamide, N,N'-bis(4-methyl-1-piperazinyl)-2,2-diphenyl-
CAS No: 88172-31-0 Catalog No: AG004CKO MDL No:
Product Description
Catalog Number:
AG004CKO
Chemical Name:
Propanediamide, N,N'-bis(4-methyl-1-piperazinyl)-2,2-diphenyl-
CAS Number:
88172-31-0
Molecular Formula:
C25H34N6O2
Molecular Weight:
450.5765
IUPAC Name:
N,N'-bis(4-methylpiperazin-1-yl)-2,2-diphenylpropanediamide
InChI:
InChI=1S/C25H34N6O2/c1-28-13-17-30(18-14-28)26-23(32)25(21-9-5-3-6-10-21,22-11-7-4-8-12-22)24(33)27-31-19-15-29(2)16-20-31/h3-12H,13-20H2,1-2H3,(H,26,32)(H,27,33)
InChI Key:
FSKACXIUGXCCJA-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)NC(=O)C(c1ccccc1)(c1ccccc1)C(=O)NN1CCN(CC1)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.274g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.587g/mol
Monoisotopic Mass:
450.274g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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