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101045-82-3 | Ethanone, 2-[(4-amino-5-benzoyl-3-phenyl-2-thienyl)thio]-1-phenyl-
CAS No: 101045-82-3 Catalog No: AG0003M3 MDL No:
Product Description
Catalog Number:
AG0003M3
Chemical Name:
Ethanone, 2-[(4-amino-5-benzoyl-3-phenyl-2-thienyl)thio]-1-phenyl-
CAS Number:
101045-82-3
Molecular Formula:
C25H19NO2S2
Molecular Weight:
429.5539
IUPAC Name:
2-(4-amino-5-benzoyl-3-phenylthiophen-2-yl)sulfanyl-1-phenylethanone
InChI:
InChI=1S/C25H19NO2S2/c26-22-21(18-12-6-2-7-13-18)25(29-16-20(27)17-10-4-1-5-11-17)30-24(22)23(28)19-14-8-3-9-15-19/h1-15H,16,26H2
InChI Key:
GSTTYJZAJUJFFQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1sc(c(c1c1ccccc1)N)C(=O)c1ccccc1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.086g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.552g/mol
Monoisotopic Mass:
429.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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