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

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

CAS: 1462950-10-2

Formula: C16H13FN2O5S2

SMILES: COC(=O)C1=C(C2=NC(=NC=C2S1)S(C)(=O)=O)C1=CC(F)=CC=C1OC

IUPAC: methyl 7-(5-fluoro-2-methoxyphenyl)-2-methanesulfonylthieno[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

Composition: C (48.48%), H (3.31%), F (4.79%), N (7.07%), O (20.18%), S (16.18%)

Molar Mass: 396.41

Atom Count: 39

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 396.024992038
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey QPNGNXMMUXZFPC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.27
Topological Polar Surface Area 95.45
Polarizability 38.39
Ring Count 3
Rotatable Bond Count 4

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