Name: Name:Methanone,(2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(3-fluorophenyl)-
Brand: Angene
SKU: AG00I7TW
Rating: 90 (10 reviews)

Methanone,(2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(3-fluorophenyl)-

CAS No.:

399043-35-7

Catalog Number:

AG00I7TW

Molecular Formula:

C15H14FNOS

Molecular Weight:

275.3412

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00I7TW

Chemical Name:

Methanone,(2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(3-fluorophenyl)-

CAS Number:

399043-35-7

Molecular Formula:

C15H14FNOS

Molecular Weight:

275.3412

MDL Number:

MFCD06363450

IUPAC Name:

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone

InChI:

InChI=1S/C15H14FNOS/c16-10-5-3-4-9(8-10)14(18)13-11-6-1-2-7-12(11)19-15(13)17/h3-5,8H,1-2,6-7,17H2

InChI Key:

AVINEQRMMABGCF-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)C(=O)c1c(N)sc2c1CCCC2

Properties

Complexity:

351

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.341g/mol

Monoisotopic Mass:

275.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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