N-[1-(2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetyl)piperidin-4-yl]methanesulfonamide

• ChemBase ID: 453303
• Molecular Formular: C15H20N4O5S
• Molecular Mass: 368.4081
• Monoisotopic Mass: 368.11544076
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N1CCC(NS(=O)(=O)C)CC1
• Canonical SMILES: O=C(N1CCC(CC1)NS(=O)(=O)C)CN1C(=O)COc2c1nccc2
• InChI: InChI=1S/C15H20N4O5S/c1-25(22,23)17-11-4-7-18(8-5-11)13(20)9-19-14(21)10-24-12-3-2-6-16-15(12)19/h2-3,6,11,17H,4-5,7-10H2,1H3
• InChIKey: AOSCTIMKOXVOCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetyl)piperidin-4-yl]methanesulfonamide
• IUPAC Traditional name: N-[1-(2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}acetyl)piperidin-4-yl]methanesulfonamide
• Synonyms: N-{1-[2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)acetyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.524268
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.3613403
• LogD (pH = 7.4): -2.361111
• Log P: -2.3610787
• Molar Refractivity: 88.2244 cm^3
• Polarizability: 34.957355 Å^3
• Polar Surface Area: 108.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.05
• LOG S: -2.3
• Polar Surface Area: 108.91 Å^2
• Rotatable Bonds: 3