N-cyclopropyl-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 376824
• Molecular Formular: C17H23N3O2S
• Molecular Mass: 333.44842
• Monoisotopic Mass: 333.15109799
• SMILES: N1(C(=O)CC2(C1)CCCC2)CC(=O)N(C1CC1)Cc1nccs1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)CN1CC2(CC1=O)CCCC2
• InChI: InChI=1S/C17H23N3O2S/c21-15-9-17(5-1-2-6-17)12-19(15)11-16(22)20(13-3-4-13)10-14-18-7-8-23-14/h7-8,13H,1-6,9-12H2
• InChIKey: RCGZPFLSSDFXCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.372746
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.852648
• LogD (pH = 7.4): 0.8528392
• Log P: 0.85284156
• Molar Refractivity: 87.4835 cm^3
• Polarizability: 34.161404 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: 1.99
• LOG S: -3.33
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5