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1640259-27-3,MFCD31807278
Catalog No.:AA001UIG
1640259-27-3 | Benzamide, N-[1,4-dihydro-1,4-dioxo-3-(4-phenyl-1-piperazinyl)-2-naphthalenyl]-
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100mg
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$668.00
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Technical Information
Catalog Number:
AA001UIG
Chemical Name:
Benzamide, N-[1,4-dihydro-1,4-dioxo-3-(4-phenyl-1-piperazinyl)-2-naphthalenyl]-
CAS Number:
1640259-27-3
Molecular Formula:
C27H23N3O3
Molecular Weight:
437.4898
MDL Number:
MFCD31807278
IUPAC Name:
N-[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]benzamide
InChI:
InChI=1S/C27H23N3O3/c31-25-21-13-7-8-14-22(21)26(32)24(23(25)28-27(33)19-9-3-1-4-10-19)30-17-15-29(16-18-30)20-11-5-2-6-12-20/h1-14H,15-18H2,(H,28,33)
InChI Key:
KPBWCZNRGRIOMM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC1=C(N2CCN(CC2)c2ccccc2)C(=O)c2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
786  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.174g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
437.499g/mol
Monoisotopic Mass:
437.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Synonyms
 
Benzamide, N-[1,4-dihydro-1,4-dioxo-3-(4-phenyl-1-piperazinyl)-2-naphthalenyl]- 
1640259-27-3 
MLS004556034 
CHEMBL3185734 
SCHEMBL16297161 
CHEBI:125336 
KUC111109N 
SMR003351908 
KSC-288-073-1_2012-03-18 
N-(1,4-dioxo-3-(4-phenylpiperazin-1-yl)-1,4-dihydronaphthalen-2-yl)benzamide 
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