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205381-77-7 | Methanimidamide, N'-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethyl-
CAS No: 205381-77-7 Catalog No: AG002A1K MDL No:
Product Description
Catalog Number:
AG002A1K
Chemical Name:
Methanimidamide, N'-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethyl-
CAS Number:
205381-77-7
Molecular Formula:
C20H17Cl2N7
Molecular Weight:
426.3019
IUPAC Name:
N'-[4-anilino-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C19H18Cl2N6/c1-27(2)12-22-18-24-17(11-14-15(20)9-6-10-16(14)21)25-19(26-18)23-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,23,24,25,26)/b22-12-
InChI Key:
PACABDGNZHICDW-UUYOSTAYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1nc(N=CN(C)C)nc(n1)Cc1c(Cl)cccc1Cl
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
400.097g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.295g/mol
Monoisotopic Mass:
400.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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