Name: Name:Thieno[3,2-d]pyrimidine-6-carboxylic acid, 7-(5-fluoro-2-methoxyphenyl)-2-(methylsulfonyl)-, methyl ester
Brand: Angene
SKU: AG001DUK
Rating: 90 (10 reviews)

Thieno[3,2-d]pyrimidine-6-carboxylic acid, 7-(5-fluoro-2-methoxyphenyl)-2-(methylsulfonyl)-, methyl ester

CAS No.:

1462950-10-2

Catalog Number:

AG001DUK

Molecular Formula:

C16H13FN2O5S2

Molecular Weight:

396.4132

Catalog Number:

AG001DUK

Chemical Name:

Thieno[3,2-d]pyrimidine-6-carboxylic acid, 7-(5-fluoro-2-methoxyphenyl)-2-(methylsulfonyl)-, methyl ester

CAS Number:

1462950-10-2

Molecular Formula:

C16H13FN2O5S2

Molecular Weight:

396.4132

MDL Number:

MFCD29924783

IUPAC Name:

methyl 7-(5-fluoro-2-methoxyphenyl)-2-methylsulfonylthieno[3,2-d]pyrimidine-6-carboxylate

InChI:

InChI=1S/C16H13FN2O5S2/c1-23-10-5-4-8(17)6-9(10)12-13-11(25-14(12)15(20)24-2)7-18-16(19-13)26(3,21)22/h4-7H,1-3H3

InChI Key:

QPNGNXMMUXZFPC-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc2c(c1c1cc(F)ccc1OC)nc(nc2)S(=O)(=O)C

Complexity:

629

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

396.407g/mol

Monoisotopic Mass:

396.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

132A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8