[(2S)-1-[[(1S)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

Base Information

• Chemical Name: [(2S)-1-[[(1S)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
• CAS No.: 413615-35-7
• Molecular Formula: C15H18FN3O3S
• Molecular Weight: 339.38500
• DSSTox Substance ID: DTXSID7058096
• Mol file: 413615-35-7.mol

Synonyms:SCHEMBL5975186;DTXSID7058096

Chemical Property of [(2S)-1-[[(1S)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

Chemical Property:

• PSA: 123.05000
• LogP: 4.13600
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 339.10529078
• Heavy Atom Count: 23
• Complexity: 452

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(C)C1=NC2=C(S1)C=C(C=C2)F)NC(=O)O
• Isomeric SMILES: C[C@@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@H](C(C)C)NC(=O)O