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101502-01-6 | Ethanedioic acid, 1,2-bis[2-[3-oxo-3-[(phenylmethyl)amino]propyl]hydrazide]
CAS No: 101502-01-6 Catalog No: AG0004NQ MDL No:
Product Description
Catalog Number:
AG0004NQ
Chemical Name:
Ethanedioic acid, 1,2-bis[2-[3-oxo-3-[(phenylmethyl)amino]propyl]hydrazide]
CAS Number:
101502-01-6
Molecular Formula:
C22H28N6O4
Molecular Weight:
440.4955
IUPAC Name:
N-benzyl-3-[2-[2-[2-[3-(benzylamino)-3-oxopropyl]hydrazinyl]-2-oxoacetyl]hydrazinyl]propanamide
InChI:
InChI=1S/C22H28N6O4/c29-19(23-15-17-7-3-1-4-8-17)11-13-25-27-21(31)22(32)28-26-14-12-20(30)24-16-18-9-5-2-6-10-18/h1-10,25-26H,11-16H2,(H,23,29)(H,24,30)(H,27,31)(H,28,32)
InChI Key:
VVSRWRWIBRDYPQ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)NNCCC(=O)NCc1ccccc1)NNCCC(=O)NCc1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.217g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
440.504g/mol
Monoisotopic Mass:
440.217g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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