N-(5-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl}-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 537017
• Molecular Formular: C13H16N4O4S
• Molecular Mass: 324.35554
• Monoisotopic Mass: 324.08922601
• SMILES: c1(C(=O)N2CC3(OC(=O)N(C3)C)CC2)sc(nc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ncc(s1)C(=O)N1CCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C13H16N4O4S/c1-8(18)15-11-14-5-9(22-11)10(19)17-4-3-13(7-17)6-16(2)12(20)21-13/h5H,3-4,6-7H2,1-2H3,(H,14,15,18)
• InChIKey: SPLIDMMEBFJEKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl}-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: N-(5-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl}-1,3-thiazol-2-yl)acetamide
• Synonyms: N-{5-[(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]non-7-yl)carbonyl]-1,3-thiazol-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.703245
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.45029616
• LogD (pH = 7.4): -0.4504988
• Log P: -0.45029354
• Molar Refractivity: 78.6597 cm^3
• Polarizability: 29.43008 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: -1.51
• LOG S: -1.59
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 2