3-({[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}methyl)-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-({[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}methyl)-4-methoxybenzaldehyde
• CAS No.: 606122-39-8
• Molecular Formula: C22H20N4O2S
• Molecular Weight: 404.4848
• DSSTox Substance ID: DTXSID50390488
• Mol file: 606122-39-8.mol

Synonyms:606122-39-8;3-(((4-(3,5-Dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl)thio)methyl)-4-methoxybenzaldehyde;3-({[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}methyl)-4-methoxybenzaldehyde;DTXSID50390488;AKOS000747335;3-({[4-(3,5-Dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]sulfanyl}methyl)-4-methoxybenzaldehyde

Chemical Property of 3-({[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}methyl)-4-methoxybenzaldehyde

Chemical Property:

• PSA: 95.20000
• LogP: 4.54570
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 404.13069707
• Heavy Atom Count: 29
• Complexity: 553

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC4=C(C=CC(=C4)C=O)OC)C

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