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189132-59-0 | Propanamide, N,N'-[1,1'-biphenyl]-4,4'-diylbis[3-(phenylthio)- (9CI)
CAS No: 189132-59-0 Catalog No: AG002HXH MDL No:
Product Description
Catalog Number:
AG002HXH
Chemical Name:
Propanamide, N,N'-[1,1'-biphenyl]-4,4'-diylbis[3-(phenylthio)- (9CI)
CAS Number:
189132-59-0
Molecular Formula:
C30H28N2O2S2
Molecular Weight:
512.6855
IUPAC Name:
3-phenylsulfanyl-N-[4-[4-(3-phenylsulfanylpropanoylamino)phenyl]phenyl]propanamide
InChI:
InChI=1S/C30H28N2O2S2/c33-29(19-21-35-27-7-3-1-4-8-27)31-25-15-11-23(12-16-25)24-13-17-26(18-14-24)32-30(34)20-22-36-28-9-5-2-6-10-28/h1-18H,19-22H2,(H,31,33)(H,32,34)
InChI Key:
BHVMASIXAFYAGO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)c1ccc(cc1)NC(=O)CCSc1ccccc1)CCSc1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.159g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
512.686g/mol
Monoisotopic Mass:
512.159g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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