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291528-43-3 | N-Benzyl-4-(benzylamino)-3-nitrobenzamide
CAS No: 291528-43-3 Catalog No: AG01FBQ6 MDL No:MFCD00835248
Product Description
Catalog Number:
AG01FBQ6
Chemical Name:
N-Benzyl-4-(benzylamino)-3-nitrobenzamide
CAS Number:
291528-43-3
Molecular Formula:
C21H19N3O3
Molecular Weight:
361.3939
MDL Number:
MFCD00835248
IUPAC Name:
N-benzyl-4-(benzylamino)-3-nitrobenzamide
InChI:
InChI=1S/C21H19N3O3/c25-21(23-15-17-9-5-2-6-10-17)18-11-12-19(20(13-18)24(26)27)22-14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,23,25)
InChI Key:
ZOOQYYIMPFKJTJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1)NCc1ccccc1
Properties
Complexity:
482
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:
2
Isotope Atom Count:
0
Molecular Weight:
361.401g/mol
Monoisotopic Mass:
361.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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