2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one

C19H18N2O3S — CID 13370272

IUPAC2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(-c2cccc(SCc3ccccc3)c2)c(=O)c1OC
InChIInChI=1S/C19H18N2O3S/c1-23-17-12-20-21(19(22)18(17)24-2)15-9-6-10-16(11-15)25-13-14-7-4-3-5-8-14/h3-12H,13H2,1-2H3
InChIKeyRLONHIDYDVMFKS-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one

2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one (PubChem CID 13370272) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one
PubChem CID13370272
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(-c2cccc(SCc3ccccc3)c2)c(=O)c1OC
InChIInChI=1S/C19H18N2O3S/c1-23-17-12-20-21(19(22)18(17)24-2)15-9-6-10-16(11-15)25-13-14-7-4-3-5-8-14/h3-12H,13H2,1-2H3
InChIKeyRLONHIDYDVMFKS-UHFFFAOYSA-N
XLogP3.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-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

Related Compounds

2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
CID 86105894
2-benzyl-4-benzylsulfanyl-5-methoxypyridazin-3-one
CID 851026
2-(3-chlorophenyl)-7,8-dimethoxyphthalazin-1-one
CID 17466640
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
CID 10944372
5-chloro-2-(3-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904509
3-benzylsulfanyl-4-hydroxy-6-(2,3,4-trimethoxyphenyl)pyran-2-one
CID 54681268
3-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110564894
3-benzylsulfanyl-4-methoxybenzaldehyde
CID 146393669
4-benzylsulfanyl-2-methoxybenzonitrile
CID 156555292
[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)oxy-3-methoxyphenyl]methyl-prop-2-enylazanium
CID 7378086
2-benzylsulfanyl-6-methoxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 14254423
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one?
The IUPAC name of 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one (CID 13370272) is 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one.
What is the SMILES notation for 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one?
The canonical SMILES for 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one is COc1cnn(-c2cccc(SCc3ccccc3)c2)c(=O)c1OC.
What is the InChIKey of 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one?
The InChIKey is RLONHIDYDVMFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-17-12-20-21(19(22)18(17)24-2)15-9-6-10-16(11-15)25-13-14-7-4-3-5-8-14/h3-12H,13H2,1-2H3.
What are the key properties of 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one?
2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one has a molecular weight of 354.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one is sourced from PubChem (CID 13370272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).