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89474-06-6 | 1,4-Piperazinediacetamide, N,N'-bis([1,1'-biphenyl]-3-yl)-
CAS No: 89474-06-6 Catalog No: AG0043DI MDL No:
Product Description
Catalog Number:
AG0043DI
Chemical Name:
1,4-Piperazinediacetamide, N,N'-bis([1,1'-biphenyl]-3-yl)-
CAS Number:
89474-06-6
Molecular Formula:
C32H32N4O2
Molecular Weight:
504.6221
IUPAC Name:
2-[4-[2-oxo-2-(3-phenylanilino)ethyl]piperazin-1-yl]-N-(3-phenylphenyl)acetamide
InChI:
InChI=1S/C32H32N4O2/c37-31(33-29-15-7-13-27(21-29)25-9-3-1-4-10-25)23-35-17-19-36(20-18-35)24-32(38)34-30-16-8-14-28(22-30)26-11-5-2-6-12-26/h1-16,21-22H,17-20,23-24H2,(H,33,37)(H,34,38)
InChI Key:
AIZPZBKNJKOTFV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)c1ccccc1)CN1CCN(CC1)CC(=O)Nc1cccc(c1)c1ccccc1
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.253g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
504.634g/mol
Monoisotopic Mass:
504.253g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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