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81835-95-2 | 4-Imidazolidinone, 5,5-bis(3-bromo-4-methoxyphenyl)-2-thioxo-
CAS No: 81835-95-2 Catalog No: AG005HU3 MDL No:
Product Description
Catalog Number:
AG005HU3
Chemical Name:
4-Imidazolidinone, 5,5-bis(3-bromo-4-methoxyphenyl)-2-thioxo-
CAS Number:
81835-95-2
Molecular Formula:
C17H14Br2N2O3S
Molecular Weight:
486.1777
IUPAC Name:
5,5-bis(3-bromo-4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C17H14Br2N2O3S/c1-23-13-5-3-9(7-11(13)18)17(15(22)20-16(25)21-17)10-4-6-14(24-2)12(19)8-10/h3-8H,1-2H3,(H2,20,21,22,25)
InChI Key:
VQKALZSFPKIAAJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C1(NC(=S)NC1=O)c1ccc(c(c1)Br)OC
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.907g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
486.178g/mol
Monoisotopic Mass:
483.909g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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