N-methyl-N-{2-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}methanesulfonamide

• ChemBase ID: 742888
• Molecular Formular: C11H15N5O3S
• Molecular Mass: 297.3335
• Monoisotopic Mass: 297.08956037
• SMILES: c1(nc(on1)CCN(S(=O)(=O)C)C)c1nnc(cc1)C
• Canonical SMILES: Cc1ccc(nn1)c1noc(n1)CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C11H15N5O3S/c1-8-4-5-9(14-13-8)11-12-10(19-15-11)6-7-16(2)20(3,17)18/h4-5H,6-7H2,1-3H3
• InChIKey: GNBQRDNCAWGKIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{2-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}methanesulfonamide
• IUPAC Traditional name: N-methyl-N-{2-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}methanesulfonamide
• Synonyms: N-methyl-N-{2-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]ethyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.401608
• LogD (pH = 7.4): -0.4015908
• Log P: -0.4015906
• Molar Refractivity: 84.4524 cm^3
• Polarizability: 28.501785 Å^3
• Polar Surface Area: 102.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.61
• LOG S: -1.89
• Polar Surface Area: 102.08 Å^2
• Rotatable Bonds: 4