N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}acetamide

• ChemBase ID: 485933
• Molecular Formular: C16H24N4O3S
• Molecular Mass: 352.45176
• Monoisotopic Mass: 352.15691165
• SMILES: C1(=O)N(CC(=O)N(CCc2c(ncs2)C)C)CC2(O1)CCNCC2
• Canonical SMILES: CN(C(=O)CN1CC2(OC1=O)CCNCC2)CCc1scnc1C
• InChI: InChI=1S/C16H24N4O3S/c1-12-13(24-11-18-12)3-8-19(2)14(21)9-20-10-16(23-15(20)22)4-6-17-7-5-16/h11,17H,3-10H2,1-2H3
• InChIKey: ALXLCCXQLODXPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}acetamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}acetamide
• Synonyms: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.41785
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7109902
• LogD (pH = 7.4): -2.77308
• Log P: -0.51351357
• Molar Refractivity: 90.7221 cm^3
• Polarizability: 35.223423 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.39
• LOG S: -2.1
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5