N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea

Base Information

• Chemical Name: N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea
• CAS No.: 5894-66-6
• Molecular Formula: C24H21FN6O4S
• Molecular Weight: 508.5247
• DSSTox Substance ID: DTXSID30360008
• Wikidata: Q82141502
• Mol file: 5894-66-6.mol

Synonyms:5894-66-6;DTXSID30360008;N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea

Chemical Property of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea

Chemical Property:

• Density: 1.41g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 508.13290251
• Heavy Atom Count: 36
• Complexity: 725

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)NC4=CC=CC=C4F