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89334-84-9 | 4-Thiazolidinone, 3-[3-(1H-benzimidazol-2-yl)propyl]-2-(phenylimino)-
CAS No: 89334-84-9 Catalog No: AG0086RR MDL No:
Product Description
Catalog Number:
AG0086RR
Chemical Name:
4-Thiazolidinone, 3-[3-(1H-benzimidazol-2-yl)propyl]-2-(phenylimino)-
CAS Number:
89334-84-9
Molecular Formula:
C19H18N4OS
Molecular Weight:
350.4374
IUPAC Name:
3-[3-(1H-benzimidazol-2-yl)propyl]-2-phenylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C19H18N4OS/c24-18-13-25-19(20-14-7-2-1-3-8-14)23(18)12-6-11-17-21-15-9-4-5-10-16(15)22-17/h1-5,7-10H,6,11-13H2,(H,21,22)
InChI Key:
CHSKUFWIRKRQGG-UHFFFAOYSA-N
SMILES:
O=C1CSC(=Nc2ccccc2)N1CCCc1nc2c([nH]1)cccc2
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.44g/mol
Monoisotopic Mass:
350.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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