Home Other Building Blocks (Z)-N-phenyl-4-(piperidin-1-yl)-6-(2-(quinuclidin-3-ylidene)hydrazinyl)-1,3,5-triazin-2-aMine

(Z)-N-phenyl-4-(piperidin-1-yl)-6-(2-(quinuclidin-3-ylidene)hydrazinyl)-1,3,5-triazin-2-aMine

CAS No.:
455325-51-6
Catalog Number:
AG00DB2D
Molecular Formula:
C21H28N8
Molecular Weight:
392.5006
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Product Description
Catalog Number:
AG00DB2D
Chemical Name:
(Z)-N-phenyl-4-(piperidin-1-yl)-6-(2-(quinuclidin-3-ylidene)hydrazinyl)-1,3,5-triazin-2-aMine
CAS Number:
455325-51-6
Molecular Formula:
C21H28N8
Molecular Weight:
392.5006
MDL Number:
MFCD18642812
IUPAC Name:
2-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C21H28N8/c1-3-7-17(8-4-1)22-19-23-20(25-21(24-19)29-11-5-2-6-12-29)27-26-18-15-28-13-9-16(18)10-14-28/h1,3-4,7-8,16H,2,5-6,9-15H2,(H2,22,23,24,25,27)/b26-18+
InChI Key:
ZAPISBYVBGLUBW-NLRVBDNBSA-N
SMILES:
C1CCN(CC1)c1nc(N/N=C/2\CN3CCC2CC3)nc(n1)Nc1ccccc1
Properties
Complexity:
549  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
392.244g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
392.511g/mol
Monoisotopic Mass:
392.244g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
A novel inhibitor of indole-3-glycerol phosphate synthase with activity against multidrug-resistant Mycobacterium tuberculosis. The FEBS journal 20090101
Properties