Name: Name:3-[5-(4-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid
Brand: Angene
SKU: AG019PJA
Rating: 90 (10 reviews)

3-[5-(4-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

CAS No.:

877825-70-2

Catalog Number:

AG019PJA

Molecular Formula:

C16H14N2O3S

Molecular Weight:

314.3590

Catalog Number:

AG019PJA

Chemical Name:

3-[5-(4-methylphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

CAS Number:

877825-70-2

Molecular Formula:

C16H14N2O3S

Molecular Weight:

314.3590

MDL Number:

MFCD07847849

IUPAC Name:

3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid

InChI:

InChI=1S/C16H14N2O3S/c1-10-2-4-11(5-3-10)12-8-22-15-14(12)16(21)18(9-17-15)7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)

InChI Key:

ZNIUIFMPYBUPGR-UHFFFAOYSA-N

SMILES:

OC(=O)CCn1cnc2c(c1=O)c(cs2)c1ccc(cc1)C

Complexity:

474

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.359g/mol

Monoisotopic Mass:

314.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4