N-(5-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carbonyl}-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 861114
• Molecular Formular: C14H18N4O4S
• Molecular Mass: 338.38212
• Monoisotopic Mass: 338.10487608
• SMILES: c1(C(=O)N2CC3(OC(=O)N(C3)C)CCC2)sc(nc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ncc(s1)C(=O)N1CCCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C14H18N4O4S/c1-9(19)16-12-15-6-10(23-12)11(20)18-5-3-4-14(8-18)7-17(2)13(21)22-14/h6H,3-5,7-8H2,1-2H3,(H,15,16,19)
• InChIKey: HURDKSHHVQNDER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carbonyl}-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: N-(5-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carbonyl}-1,3-thiazol-2-yl)acetamide
• Synonyms: N-{5-[(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]dec-7-yl)carbonyl]-1,3-thiazol-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.703251
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.0670665
• LogD (pH = 7.4): 0.066863894
• Log P: 0.06706912
• Molar Refractivity: 83.3043 cm^3
• Polarizability: 31.245409 Å^3
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.94
• LOG S: -2.17
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 2