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138172-80-2 | Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N-propyl-
CAS No: 138172-80-2 Catalog No: AG00184W MDL No:
Product Description
Catalog Number:
AG00184W
Chemical Name:
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N-propyl-
CAS Number:
138172-80-2
Molecular Formula:
C20H24N4O
Molecular Weight:
336.4308
IUPAC Name:
N-propyl-4-[5-[4-(propylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
InChI:
InChI=1S/C20H24N4O/c1-3-13-21-17-9-5-15(6-10-17)19-23-24-20(25-19)16-7-11-18(12-8-16)22-14-4-2/h5-12,21-22H,3-4,13-14H2,1-2H3
InChI Key:
SOUJCKYZZXJAFK-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cc1)c1nnc(o1)c1ccc(cc1)NCCC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.439g/mol
Monoisotopic Mass:
336.195g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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