S-[7-(2-Benzothiazolylamino)-7-oxoheptyl] 2-methylpropanethioate

Base Information

• Chemical Name: S-[7-(2-Benzothiazolylamino)-7-oxoheptyl] 2-methylpropanethioate
• CAS No.: 848354-67-6
• Molecular Formula: C18H24N2O2S2
• DSSTox Substance ID: DTXSID001172397
• ChEMBL ID: CHEMBL427495

Synonyms:CHEMBL427495;DTXSID001172397;S-[7-(2-Benzothiazolylamino)-7-oxoheptyl] 2-methylpropanethioate;848354-67-6

Chemical Property of S-[7-(2-Benzothiazolylamino)-7-oxoheptyl] 2-methylpropanethioate

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 364.12792036
• Heavy Atom Count: 24
• Complexity: 418

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MSDS Files:

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• Canonical SMILES: CC(C)C(=O)SCCCCCCC(=O)NC1=NC2=CC=CC=C2S1

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