1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one

C18H12F2N2O2S — CID 20941820

IUPAC1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESO=C(CSc1nccn(-c2ccc(F)cc2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O2S/c19-13-3-1-12(2-4-13)16(23)11-25-17-18(24)22(10-9-21-17)15-7-5-14(20)6-8-15/h1-10H,11H2
InChIKeyYDQQTTDFGZHIMQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one

1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (PubChem CID 20941820) has the molecular formula C18H12F2N2O2S and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
PubChem CID20941820
Molecular FormulaC18H12F2N2O2S
Molecular Weight358.37 g/mol
Exact Mass358.06
IUPAC Name1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESO=C(CSc1nccn(-c2ccc(F)cc2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12F2N2O2S/c19-13-3-1-12(2-4-13)16(23)11-25-17-18(24)22(10-9-21-17)15-7-5-14(20)6-8-15/h1-10H,11H2
InChIKeyYDQQTTDFGZHIMQ-UHFFFAOYSA-N
XLogP3.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (CID 20941820) is 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is O=C(CSc1nccn(-c2ccc(F)cc2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The InChIKey is YDQQTTDFGZHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2S/c19-13-3-1-12(2-4-13)16(23)11-25-17-18(24)22(10-9-21-17)15-7-5-14(20)6-8-15/h1-10H,11H2.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one has a molecular weight of 358.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is sourced from PubChem (CID 20941820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).