1-(7-bromo-6-{3-[(tert-butyldimethylsilyl)oxy]propyl}-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one

• ChemBase ID: 54594
• Molecular Formular: C21H35BrN2O3Si
• Molecular Mass: 471.5037
• Monoisotopic Mass: 470.16003152
• SMILES: c1(c(cc2c(n1)OCCN2C(=O)C(C)(C)C)Br)CCCO[Si](C(C)(C)C)(C)C
• Canonical SMILES: Brc1cc2c(nc1CCCO[Si](C(C)(C)C)(C)C)OCCN2C(=O)C(C)(C)C
• InChI: InChI=1S/C21H35BrN2O3Si/c1-20(2,3)19(25)24-11-13-26-18-17(24)14-15(22)16(23-18)10-9-12-27-28(7,8)21(4,5)6/h14H,9-13H2,1-8H3
• InChIKey: ULEGZPIBYWCLAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(7-bromo-6-{3-[(tert-butyldimethylsilyl)oxy]propyl}-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
• IUPAC Traditional name: 1-(7-bromo-6-{3-[(tert-butyldimethylsilyl)oxy]propyl}-2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
• Synonyms: 1-(7-bromo-6-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one; 1-(7-Bromo-6-(3-((tert-butyldimethylsilyl)oxy)prop yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-; 1-(7-bromo-6-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1

Database IDs

• MDL Number: MFCD18803505
• PubChem SID: 162059357
• PubChem CID: 50986331

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.357185
• LogD (pH = 7.4): 5.3571997
• Log P: 5.3572
• Molar Refractivity: 113.6091 cm^3
• Polarizability: 46.364567 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C21H35BrN2O3Si

DETAILS

Sigma Aldrich - ADE001293

Other Notes
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