6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine

C24H18F2N2O2S — CID 18759990

IUPAC6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(-c2cc(Sc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H18F2N2O2S/c1-29-18-8-3-15(4-9-18)20-14-23(31-22-12-7-17(25)13-21(22)26)27-28-24(20)16-5-10-19(30-2)11-6-16/h3-14H,1-2H3
InChIKeyBBJOEXOQIPHFGP-UHFFFAOYSA-N
MW436.48 g/mol
LogP6.26
Rot. Bonds6

About 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine

6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine (PubChem CID 18759990) has the molecular formula C24H18F2N2O2S and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine
PubChem CID18759990
Molecular FormulaC24H18F2N2O2S
Molecular Weight436.48 g/mol
Exact Mass436.11
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(-c2cc(Sc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H18F2N2O2S/c1-29-18-8-3-15(4-9-18)20-14-23(31-22-12-7-17(25)13-21(22)26)27-28-24(20)16-5-10-19(30-2)11-6-16/h3-14H,1-2H3
InChIKeyBBJOEXOQIPHFGP-UHFFFAOYSA-N
XLogP6.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine (CID 18759990) is 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine is COc1ccc(-c2cc(Sc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine?
The InChIKey is BBJOEXOQIPHFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2S/c1-29-18-8-3-15(4-9-18)20-14-23(31-22-12-7-17(25)13-21(22)26)27-28-24(20)16-5-10-19(30-2)11-6-16/h3-14H,1-2H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine?
6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine has a molecular weight of 436.48 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine is sourced from PubChem (CID 18759990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).