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Home > Nitro Compounds > 315240-91-6
315240-91-6 | 2-(Furan-2-ylmethylene-hydrazono)-5-(3-nitro-benzyl)-3-phenyl-thiazolidin-4-one
CAS No: 315240-91-6 Catalog No: AG01EUW4 MDL No:
Product Description
Catalog Number:
AG01EUW4
Chemical Name:
2-(Furan-2-ylmethylene-hydrazono)-5-(3-nitro-benzyl)-3-phenyl-thiazolidin-4-one
CAS Number:
315240-91-6
Molecular Formula:
C21H16N4O4S
Molecular Weight:
420.4411
IUPAC Name:
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C21H16N4O4S/c26-20-19(13-15-6-4-9-17(12-15)25(27)28)30-21(23-22-14-18-10-5-11-29-18)24(20)16-7-2-1-3-8-16/h1-12,14,19H,13H2
InChI Key:
ZZZFFCFVIRGLEX-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2cccc(c2)[N+](=O)[O-])S/C(=N/N=C/c2ccco2)/N1c1ccccc1
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.089g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.443g/mol
Monoisotopic Mass:
420.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
4.9
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