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297180-15-5 | 5-bromo-5'-phenyl-spiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-2(1H)-one
CAS No: 297180-15-5 Catalog No: AG01EQCJ MDL No:
Product Description
Catalog Number:
AG01EQCJ
Chemical Name:
5-bromo-5'-phenyl-spiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-2(1H)-one
CAS Number:
297180-15-5
Molecular Formula:
C15H10BrN3OS
Molecular Weight:
360.2284
IUPAC Name:
5-bromo-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
InChI:
InChI=1S/C15H10BrN3OS/c16-10-6-7-12-11(8-10)15(14(20)17-12)19-18-13(21-15)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)
InChI Key:
RRBYYBWDUNSVAW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C1(NN=C(S1)c1ccccc1)C(=O)N2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.973g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.229g/mol
Monoisotopic Mass:
358.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 5'-Phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one inhibitors of ADAMTS-5 (aggrecanase-2). | Bioorganic & medicinal chemistry letters 20071015 |
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