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247206-82-2 | Methanone, (2-amino-4,5-dimethyl-3-thienyl)(3-chlorophenyl)-
CAS No: 247206-82-2 Catalog No: AG002P74 MDL No:
Product Description
Catalog Number:
AG002P74
Chemical Name:
Methanone, (2-amino-4,5-dimethyl-3-thienyl)(3-chlorophenyl)-
CAS Number:
247206-82-2
Molecular Formula:
C13H12ClNOS
Molecular Weight:
265.7585
IUPAC Name:
(2-amino-4,5-dimethylthiophen-3-yl)-(3-chlorophenyl)methanone
InChI:
InChI=1S/C13H12ClNOS/c1-7-8(2)17-13(15)11(7)12(16)9-4-3-5-10(14)6-9/h3-6H,15H2,1-2H3
InChI Key:
QKHSSAJIOBXMPU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)c1c(N)sc(c1C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.755g/mol
Monoisotopic Mass:
265.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| 2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors. | Journal of medicinal chemistry 20020117 |
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