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149908-53-2

149908-53-2 | 2,4-Imidazolidinedione, 1-[[[5-(4-chlorophenyl)-2-furanyl]methylene]amino]-3-[4-(4-methyl-1-piperazinyl)butyl]-

CAS No: 149908-53-2 Catalog No: AG001M3N MDL No:

Product Description

Catalog Number:
AG001M3N
Chemical Name:
2,4-Imidazolidinedione, 1-[[[5-(4-chlorophenyl)-2-furanyl]methylene]amino]-3-[4-(4-methyl-1-piperazinyl)butyl]-
CAS Number:
149908-53-2
Molecular Formula:
C23H28ClN5O3
Molecular Weight:
457.9531
IUPAC Name:
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+
InChI Key:
MREBEPTUUMTTIA-PCLIKHOPSA-N
SMILES:
CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)N=Cc1ccc(o1)c1ccc(cc1)Cl

Properties

Complexity:
677  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
457.188g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.959g/mol
Monoisotopic Mass:
457.188g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

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