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

C18H11F3N2O2S — CID 7386636

IUPAC1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESO=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H11F3N2O2S/c19-12-3-1-11(2-4-12)16(24)10-26-17-18(25)23(8-7-22-17)13-5-6-14(20)15(21)9-13/h1-9H,10H2
InChIKeyFGFLSVVQVHUXEG-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.62
Rot. Bonds5

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

1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (PubChem CID 7386636) has the molecular formula C18H11F3N2O2S and a molecular weight of 376.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
PubChem CID7386636
Molecular FormulaC18H11F3N2O2S
Molecular Weight376.36 g/mol
Exact Mass376.05
IUPAC Name1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESO=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H11F3N2O2S/c19-12-3-1-11(2-4-12)16(24)10-26-17-18(25)23(8-7-22-17)13-5-6-14(20)15(21)9-13/h1-9H,10H2
InChIKeyFGFLSVVQVHUXEG-UHFFFAOYSA-N
XLogP3.62
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (CID 7386636) is 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The InChIKey is FGFLSVVQVHUXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2S/c19-12-3-1-11(2-4-12)16(24)10-26-17-18(25)23(8-7-22-17)13-5-6-14(20)15(21)9-13/h1-9H,10H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one has a molecular weight of 376.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is sourced from PubChem (CID 7386636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).