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89405-30-1 | Spiro[3H-indole-3,2'-thiazolidine]-2,4'(1H)-dione, 6-fluoro-3'-phenyl-
CAS No: 89405-30-1 Catalog No: AG004NDQ MDL No:
Product Description
Catalog Number:
AG004NDQ
Chemical Name:
Spiro[3H-indole-3,2'-thiazolidine]-2,4'(1H)-dione, 6-fluoro-3'-phenyl-
CAS Number:
89405-30-1
Molecular Formula:
C16H11FN2O2S
Molecular Weight:
314.3341
IUPAC Name:
6'-fluoro-3-phenylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
InChI:
InChI=1S/C16H11FN2O2S/c17-10-6-7-12-13(8-10)18-15(21)16(12)19(14(20)9-22-16)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,21)
InChI Key:
PIBMHCSTTGMOGK-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)NC(=O)C12SCC(=O)N1c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.053g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.334g/mol
Monoisotopic Mass:
314.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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