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139356-82-4 | 4,6(1H,5H)-Pyrimidinedione, 5-[(3,4-dimethoxyphenyl)methylene]dihydro-1-phenyl-3-(4-phenyl-2-thiazolyl)-2-thioxo-
CAS No: 139356-82-4 Catalog No: AG001AUJ MDL No:
Product Description
Catalog Number:
AG001AUJ
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, 5-[(3,4-dimethoxyphenyl)methylene]dihydro-1-phenyl-3-(4-phenyl-2-thiazolyl)-2-thioxo-
CAS Number:
139356-82-4
Molecular Formula:
C28H21N3O4S2
Molecular Weight:
527.6140
IUPAC Name:
5-[(3,4-dimethoxyphenyl)methylidene]-1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C28H21N3O4S2/c1-34-23-14-13-18(16-24(23)35-2)15-21-25(32)30(20-11-7-4-8-12-20)28(36)31(26(21)33)27-29-22(17-37-27)19-9-5-3-6-10-19/h3-17H,1-2H3
InChI Key:
SFTRBXBVUHVPIG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C=C1C(=O)N(c2scc(n2)c2ccccc2)C(=S)N(C1=O)c1ccccc1
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.097g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
527.613g/mol
Monoisotopic Mass:
527.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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