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139440-22-5 | Benzamide, 4,4'-thiobis[N-(4-chlorophenyl)-
CAS No: 139440-22-5 Catalog No: AG001B1F MDL No:
Product Description
Catalog Number:
AG001B1F
Chemical Name:
Benzamide, 4,4'-thiobis[N-(4-chlorophenyl)-
CAS Number:
139440-22-5
Molecular Formula:
C26H18Cl2N2O2S
Molecular Weight:
493.4043
IUPAC Name:
N-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)carbamoyl]phenyl]sulfanylbenzamide
InChI:
InChI=1S/C26H18Cl2N2O2S/c27-19-5-9-21(10-6-19)29-25(31)17-1-13-23(14-2-17)33-24-15-3-18(4-16-24)26(32)30-22-11-7-20(28)8-12-22/h1-16H,(H,29,31)(H,30,32)
InChI Key:
HKMILXRWTPUPGR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Sc1ccc(cc1)C(=O)Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.047g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
493.402g/mol
Monoisotopic Mass:
492.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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