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90290-91-8 | Benzamide, N-[2-(4-cyanophenyl)-1-(4-morpholinylcarbonyl)ethenyl]-
CAS No: 90290-91-8 Catalog No: AG006GMA MDL No:
Product Description
Catalog Number:
AG006GMA
Chemical Name:
Benzamide, N-[2-(4-cyanophenyl)-1-(4-morpholinylcarbonyl)ethenyl]-
CAS Number:
90290-91-8
Molecular Formula:
C21H19N3O3
Molecular Weight:
361.3939
IUPAC Name:
N-[1-(4-cyanophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C21H19N3O3/c22-15-17-8-6-16(7-9-17)14-19(21(26)24-10-12-27-13-11-24)23-20(25)18-4-2-1-3-5-18/h1-9,14H,10-13H2,(H,23,25)
InChI Key:
FSDJBXANLUSHSD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=C(C(=O)N1CCOCC1)NC(=O)c1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.401g/mol
Monoisotopic Mass:
361.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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