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Home > Indoles and Oxindole > 91870-65-4
91870-65-4 | Spiro[3H-indole-3,2'-thiazolidine]-2,4'(1H)-dione, 5'-methyl-3'-phenyl-
CAS No: 91870-65-4 Catalog No: AG006NUN MDL No:
Product Description
Catalog Number:
AG006NUN
Chemical Name:
Spiro[3H-indole-3,2'-thiazolidine]-2,4'(1H)-dione, 5'-methyl-3'-phenyl-
CAS Number:
91870-65-4
Molecular Formula:
C17H14N2O2S
Molecular Weight:
310.3703
IUPAC Name:
5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
InChI:
InChI=1S/C17H14N2O2S/c1-11-15(20)19(12-7-3-2-4-8-12)17(22-11)13-9-5-6-10-14(13)18-16(17)21/h2-11H,1H3,(H,18,21)
InChI Key:
JWYHVXCUFQZPFL-UHFFFAOYSA-N
SMILES:
CC1SC2(N(C1=O)c1ccccc1)C(=O)Nc1c2cccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.371g/mol
Monoisotopic Mass:
310.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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