N-cyclopropyl-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}-N-(1,3-thiazol-2-ylmethyl)acetamide

• ChemBase ID: 609652
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: C1(=O)N(CC(=O)N(C2CC2)Cc2nccs2)CC2(O1)CCNCC2
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)CN1CC2(OC1=O)CCNCC2
• InChI: InChI=1S/C16H22N4O3S/c21-14(20(12-1-2-12)9-13-18-7-8-24-13)10-19-11-16(23-15(19)22)3-5-17-6-4-16/h7-8,12,17H,1-6,9-11H2
• InChIKey: GAKWZIRKOITRJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.282398
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7245955
• LogD (pH = 7.4): -2.7868183
• Log P: -0.5272534
• Molar Refractivity: 88.0193 cm^3
• Polarizability: 34.592102 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: 1.21
• LOG S: -2.79
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5