1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one

C19H17FN2O2S — CID 7386613

IUPAC1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-24-17-9-7-16(8-10-17)22-12-11-21-18(19(22)23)25-13-14-3-5-15(20)6-4-14/h3-12H,2,13H2,1H3
InChIKeyMVFITZUNJJTGSV-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one

1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one (PubChem CID 7386613) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
PubChem CID7386613
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-24-17-9-7-16(8-10-17)22-12-11-21-18(19(22)23)25-13-14-3-5-15(20)6-4-14/h3-12H,2,13H2,1H3
InChIKeyMVFITZUNJJTGSV-UHFFFAOYSA-N
XLogP4.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one (CID 7386613) is 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one is CCOc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The InChIKey is MVFITZUNJJTGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-24-17-9-7-16(8-10-17)22-12-11-21-18(19(22)23)25-13-14-3-5-15(20)6-4-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one has a molecular weight of 356.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one is sourced from PubChem (CID 7386613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).