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90748-78-0 | Benzamide, N,N'-(thiodi-2,1-phenylene)bis-
CAS No: 90748-78-0 Catalog No: AG006MJQ MDL No:
Product Description
Catalog Number:
AG006MJQ
Chemical Name:
Benzamide, N,N'-(thiodi-2,1-phenylene)bis-
CAS Number:
90748-78-0
Molecular Formula:
C26H20N2O2S
Molecular Weight:
424.5142
IUPAC Name:
N-[2-(2-benzamidophenyl)sulfanylphenyl]benzamide
InChI:
InChI=1S/C26H20N2O2S/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
InChI Key:
DSVSISOOUYEFBX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccccc1Sc1ccccc1NC(=O)c1ccccc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.125g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.518g/mol
Monoisotopic Mass:
424.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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