tert-Butyl (R)-(5-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-3-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (R)-(5-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-3-yl)carbamate
• CAS No.: 1286776-27-9
• Molecular Formula: C16H21FN4O6S
• Molecular Weight: 416.4
• Mol file: 1286776-27-9.mol

Synonyms:tert-Butyl (R)-(5-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-3-yl)carbamate;1286776-27-9;SCHEMBL10328600

Chemical Property of tert-Butyl (R)-(5-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-3-yl)carbamate

Chemical Property:

• PKA: 7.38±0.40(Predicted)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 416.11658374
• Heavy Atom Count: 28
• Complexity: 770

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MSDS Files:

Useful:

• Canonical SMILES: CC1(CS(=O)(=O)N(C(=N1)NC(=O)OC(C)(C)C)C)C2=C(C=CC(=C2)[N+](=O)[O-])F
• Isomeric SMILES: C[C@]1(CS(=O)(=O)N(C(=N1)NC(=O)OC(C)(C)C)C)C2=C(C=CC(=C2)[N+](=O)[O-])F

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