N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}acetamide

• ChemBase ID: 603498
• Molecular Formular: C17H25N3O2S
• Molecular Mass: 335.4643
• Monoisotopic Mass: 335.16674806
• SMILES: N1(C(=O)CC2(C1)CCCC2)CC(=O)N(CCc1c(ncs1)C)C
• Canonical SMILES: CN(C(=O)CN1CC2(CC1=O)CCCC2)CCc1scnc1C
• InChI: InChI=1S/C17H25N3O2S/c1-13-14(23-12-18-13)5-8-19(2)16(22)10-20-11-17(9-15(20)21)6-3-4-7-17/h12H,3-11H2,1-2H3
• InChIKey: GQPPQFDPQBELEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}acetamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}acetamide
• Synonyms: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(3-oxo-2-azaspiro[4.4]non-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.508722
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.86625344
• LogD (pH = 7.4): 0.86657727
• Log P: 0.8665814
• Molar Refractivity: 90.1863 cm^3
• Polarizability: 34.79671 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.17
• LOG S: -2.65
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5