methyl 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1H-indole-2-carboxylate

Base Information

• Chemical Name: methyl 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1H-indole-2-carboxylate
• CAS No.: 141533-35-9
• Molecular Formula: C25H28 N4 O5 S
• Molecular Weight: 496.585
• DSSTox Substance ID: DTXSID10161757
• Nikkaji Number: J544.710K
• Wikidata: Q27088769
• Mol file: 141533-35-9.mol

Synonyms:methyl 4-(4-(4-(1,1,3-trioxo-2H-1,2-benzoisothiazol-2-yl)butyl)-1-piperazinyl)-1H-indole-2-carboxylate;SDZ 216-525;SDZ-216-525

Chemical Property of methyl 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 7.05E-21mmHg at 25°C
• Boiling Point: 725.1°Cat760mmHg
• Flash Point: 392.3°C
• PSA: 111.40000
• Density: 1.37g/cm³
• LogP: 3.72300
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 496.17804118
• Heavy Atom Count: 35
• Complexity: 885

Purity/Quality:

99% ^*data from raw suppliers

SDZ 216-525 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(N1)C=CC=C2N3CCN(CC3)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O