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89334-69-0 | 4-Thiazolidinone, 3-[2-(1H-benzimidazol-2-yl)ethyl]-2-(phenylimino)-
CAS No: 89334-69-0 Catalog No: AG003ZEP MDL No:
Product Description
Catalog Number:
AG003ZEP
Chemical Name:
4-Thiazolidinone, 3-[2-(1H-benzimidazol-2-yl)ethyl]-2-(phenylimino)-
CAS Number:
89334-69-0
Molecular Formula:
C18H16N4OS
Molecular Weight:
336.4108
IUPAC Name:
3-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H16N4OS/c23-17-12-24-18(19-13-6-2-1-3-7-13)22(17)11-10-16-20-14-8-4-5-9-15(14)21-16/h1-9H,10-12H2,(H,20,21)
InChI Key:
JLCXNXWAAIOGBZ-UHFFFAOYSA-N
SMILES:
O=C1CSC(=Nc2ccccc2)N1CCc1nc2c([nH]1)cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.104g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.413g/mol
Monoisotopic Mass:
336.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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