1-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea

Base Information

• Chemical Name: 1-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea
• CAS No.: 6998-67-0
• Molecular Formula: C16H19 N3 O2
• Molecular Weight: 474.7813
• DSSTox Substance ID: DTXSID20364232
• Wikidata: Q82148078
• Mol file: 6998-67-0.mol

Synonyms:6998-67-0;1-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea;ST50053607;DTXSID20364232;AKOS002169540

Chemical Property of 1-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.52g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 473.06180
• Heavy Atom Count: 29
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NN=C(N2CC1)N(CC3=CC=C(C=C3)Br)C(=O)NC4=CC(=CC=C4)Cl