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88321-42-0 | 3-Cyclohexene-1,1-dicarboxamide, 4-amino-3-cyano-N,N'-diphenyl-
CAS No: 88321-42-0 Catalog No: AG0048BY MDL No:
Product Description
Catalog Number:
AG0048BY
Chemical Name:
3-Cyclohexene-1,1-dicarboxamide, 4-amino-3-cyano-N,N'-diphenyl-
CAS Number:
88321-42-0
Molecular Formula:
C21H20N4O2
Molecular Weight:
360.4091
IUPAC Name:
4-amino-3-cyano-1-N,1-N'-diphenylcyclohex-3-ene-1,1-dicarboxamide
InChI:
InChI=1S/C21H20N4O2/c22-14-15-13-21(12-11-18(15)23,19(26)24-16-7-3-1-4-8-16)20(27)25-17-9-5-2-6-10-17/h1-10H,11-13,23H2,(H,24,26)(H,25,27)
InChI Key:
GTFYUJZBHAUJJU-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)CCC(C1)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.417g/mol
Monoisotopic Mass:
360.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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