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90290-93-0 | Benzamide, N-[1-[(butylamino)carbonyl]-2-phenylethenyl]-4-cyano-
CAS No: 90290-93-0 Catalog No: AG006GM9 MDL No:
Product Description
Catalog Number:
AG006GM9
Chemical Name:
Benzamide, N-[1-[(butylamino)carbonyl]-2-phenylethenyl]-4-cyano-
CAS Number:
90290-93-0
Molecular Formula:
C21H21N3O2
Molecular Weight:
347.4103
IUPAC Name:
N-[3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-cyanobenzamide
InChI:
InChI=1S/C21H21N3O2/c1-2-3-13-23-21(26)19(14-16-7-5-4-6-8-16)24-20(25)18-11-9-17(15-22)10-12-18/h4-12,14H,2-3,13H2,1H3,(H,23,26)(H,24,25)
InChI Key:
WQAXOKVTKGKTLM-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(cc1)C#N
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.418g/mol
Monoisotopic Mass:
347.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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