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73418-63-0 | 4-(1H-BENZIMIDAZOL-2-YLMETHOXY)-N'-[(1E)-2-FURYLMETHYLENE]BENZOHYDRAZIDE
CAS No: 73418-63-0 Catalog No: AG005E3Y MDL No:
Product Description
Catalog Number:
AG005E3Y
Chemical Name:
4-(1H-BENZIMIDAZOL-2-YLMETHOXY)-N'-[(1E)-2-FURYLMETHYLENE]BENZOHYDRAZIDE
CAS Number:
73418-63-0
Molecular Formula:
C20H16N4O3
Molecular Weight:
360.3660
IUPAC Name:
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide
InChI:
InChI=1S/C20H16N4O3/c25-20(24-21-12-16-4-3-11-26-16)14-7-9-15(10-8-14)27-13-19-22-17-5-1-2-6-18(17)23-19/h1-12H,13H2,(H,22,23)(H,24,25)/b21-12+
InChI Key:
IIARSUCTPRZFNC-CIAFOILYSA-N
SMILES:
O=C(c1ccc(cc1)OCc1nc2c([nH]1)cccc2)N/N=C/c1ccco1
NSC Number:
348965
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
360.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.373g/mol
Monoisotopic Mass:
360.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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