Name: Name:1-[2-amino-3-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl]ethan-1-one
Brand: Angene
SKU: AG01A6PW
Rating: 90 (10 reviews)

1-[2-amino-3-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl]ethan-1-one

CAS No.:

1256257-71-2

Catalog Number:

AG01A6PW

Molecular Formula:

C17H18N2O2S

Molecular Weight:

314.4020

Catalog Number:

AG01A6PW

Chemical Name:

1-[2-amino-3-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl]ethan-1-one

CAS Number:

1256257-71-2

Molecular Formula:

C17H18N2O2S

Molecular Weight:

314.4020

MDL Number:

MFCD25970390

IUPAC Name:

1-[2-amino-3-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

InChI:

InChI=1S/C17H18N2O2S/c1-10-3-5-12(6-4-10)16(21)15-13-7-8-19(11(2)20)9-14(13)22-17(15)18/h3-6H,7-9,18H2,1-2H3

InChI Key:

PYQOTDPPUZKCKL-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)C(=O)c1c(N)sc2c1CCN(C2)C(=O)C

Complexity:

448

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.403g/mol

Monoisotopic Mass:

314.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9