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84257-89-6 | 4-Thiazolidinone, 3-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-
CAS No: 84257-89-6 Catalog No: AG004U6D MDL No:
Product Description
Catalog Number:
AG004U6D
Chemical Name:
4-Thiazolidinone, 3-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-
CAS Number:
84257-89-6
Molecular Formula:
C17H15N3O2S
Molecular Weight:
325.3849
IUPAC Name:
3-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C17H15N3O2S/c1-22-12-8-6-11(7-9-12)16-20(15(21)10-23-16)17-18-13-4-2-3-5-14(13)19-17/h2-9,16H,10H2,1H3,(H,18,19)
InChI Key:
UQCOJQKTQWJIMR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1SCC(=O)N1c1nc2c([nH]1)cccc2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.386g/mol
Monoisotopic Mass:
325.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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