200,000+ products from a single source!
sales@angenechem.com
1245739-66-5 | 8H-Indeno[1,2-c]thiophen-8-one, 1-amino-3-phenyl-
CAS No: 1245739-66-5 Catalog No: AG000MDM MDL No:
Product Description
Catalog Number:
AG000MDM
Chemical Name:
8H-Indeno[1,2-c]thiophen-8-one, 1-amino-3-phenyl-
CAS Number:
1245739-66-5
Molecular Formula:
C17H11NOS
Molecular Weight:
277.3403
IUPAC Name:
3-amino-1-phenylindeno[1,2-c]thiophen-4-one
InChI:
InChI=1S/C17H11NOS/c18-17-14-13(11-8-4-5-9-12(11)15(14)19)16(20-17)10-6-2-1-3-7-10/h1-9H,18H2
InChI Key:
WCEUQMOOQVPKSF-UHFFFAOYSA-N
SMILES:
Nc1sc(c2c1C(=O)c1c2cccc1)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.341g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Effects of conformational restriction of 2-amino-3-benzoylthiophenes on A(1) adenosine receptor modulation. | Journal of medicinal chemistry 20100923 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.