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302900-97-6

302900-97-6 | Cyclohexanecarboxamide, N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methylethyl]-N-2-pyridinyl-

CAS No: 302900-97-6 Catalog No: AG002ZHU MDL No:MFCD01566906

Product Description

Catalog Number:
AG002ZHU
Chemical Name:
Cyclohexanecarboxamide, N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methylethyl]-N-2-pyridinyl-
CAS Number:
302900-97-6
Molecular Formula:
C26H36N4O2
Molecular Weight:
436.5896
MDL Number:
MFCD01566906
IUPAC Name:
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide
InChI:
InChI=1S/C26H36N4O2/c1-21(20-28-16-18-29(19-17-28)23-12-6-7-13-24(23)32-2)30(25-14-8-9-15-27-25)26(31)22-10-4-3-5-11-22/h6-9,12-15,21-22H,3-5,10-11,16-20H2,1-2H3
InChI Key:
MDUDKPOIYPKKNF-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CC(N(C(=O)C1CCCCC1)c1ccccn1)C

Properties

Complexity:
574  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.284g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.6g/mol
Monoisotopic Mass:
436.284g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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