4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

C19H18N2O2S — CID 851023

IUPAC4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cnn(-c2ccc(C)cc2)c(=O)c1SCc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-14-8-10-16(11-9-14)21-19(22)18(17(23-2)12-20-21)24-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyLSCZUUQFTXOEJU-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.84
Rot. Bonds5

About 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 851023) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
PubChem CID851023
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cnn(-c2ccc(C)cc2)c(=O)c1SCc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-14-8-10-16(11-9-14)21-19(22)18(17(23-2)12-20-21)24-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyLSCZUUQFTXOEJU-UHFFFAOYSA-N
XLogP3.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-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 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (CID 851023) is 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is COc1cnn(-c2ccc(C)cc2)c(=O)c1SCc1ccccc1.
What is the InChIKey of 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is LSCZUUQFTXOEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-8-10-16(11-9-14)21-19(22)18(17(23-2)12-20-21)24-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 338.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 851023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).