11-[4-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]piperazino]dibenzo[b,f][1,4]thiazepine

Base Information

• Chemical Name: 11-[4-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]piperazino]dibenzo[b,f][1,4]thiazepine
• CAS No.: 329216-69-5
• Molecular Formula: C23H31Cl2N3O3S
• Molecular Weight: 500.48154
• DSSTox Substance ID: DTXSID801136199
• Nikkaji Number: J1.487.727D
• ChEMBL ID: CHEMBL341098
• Mol file: 329216-69-5.mol

Synonyms:CHEMBL341098;DTXSID801136199;BDBM50102316;LS-191581;11-[4-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]piperazino]dibenzo[b,f][1,4]thiazepine;2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethanol;2-{2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethoxy]-ethoxy}-ethanol

Chemical Property of 11-[4-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]piperazino]dibenzo[b,f][1,4]thiazepine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 427.19296297
• Heavy Atom Count: 30
• Complexity: 542

Purity/Quality:

99%, ^*data from raw suppliers

2-(2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)ethanoldihydrochloride 95+% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CCOCCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

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