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865659-86-5 | 5-(1,3-benzodioxol-5-ylmethylene)-3-{[4-(4-nitrophenyl)piperazino]methyl}-2-thioxotetrahydro-4H-imidazol-4-one
CAS No: 865659-86-5 Catalog No: AG01FOLC MDL No:
Product Description
Catalog Number:
AG01FOLC
Chemical Name:
5-(1,3-benzodioxol-5-ylmethylene)-3-{[4-(4-nitrophenyl)piperazino]methyl}-2-thioxotetrahydro-4H-imidazol-4-one
CAS Number:
865659-86-5
IUPAC Name:
5-(1,3-benzodioxol-5-ylmethylidene)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C22H21N5O5S/c28-21-18(11-15-1-6-19-20(12-15)32-14-31-19)23-22(33)26(21)13-24-7-9-25(10-8-24)16-2-4-17(5-3-16)27(29)30/h1-6,11-12H,7-10,13-14H2,(H,23,33)
InChI Key:
RJNIFTLTXKLIHL-UHFFFAOYSA-N
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.126g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.5g/mol
Monoisotopic Mass:
467.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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