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304018-04-0 | Methanone, (2-amino-5,6-dihydro-4H-cyclopenta[b]thien-3-yl)(4-chlorophenyl)-
CAS No: 304018-04-0 Catalog No: AG00300C MDL No:MFCD03118410
Product Description
Catalog Number:
AG00300C
Chemical Name:
Methanone, (2-amino-5,6-dihydro-4H-cyclopenta[b]thien-3-yl)(4-chlorophenyl)-
CAS Number:
304018-04-0
Molecular Formula:
C14H12ClNOS
Molecular Weight:
277.7692
MDL Number:
MFCD03118410
IUPAC Name:
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
InChI:
InChI=1S/C14H12ClNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2
InChI Key:
ZXCMGFVABPBNBQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.766g/mol
Monoisotopic Mass:
277.033g/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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