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

• ChemBase ID: 577595
• Molecular Formular: C17H25N3O4S
• Molecular Mass: 367.4631
• Monoisotopic Mass: 367.1565773
• SMILES: C1(=O)N(CC(=O)N(Cc2cscc2)CCOC)CC2(O1)CCNCC2
• Canonical SMILES: COCCN(C(=O)CN1CC2(OC1=O)CCNCC2)Cc1cscc1
• InChI: InChI=1S/C17H25N3O4S/c1-23-8-7-19(10-14-2-9-25-12-14)15(21)11-20-13-17(24-16(20)22)3-5-18-6-4-17/h2,9,12,18H,3-8,10-11,13H2,1H3
• InChIKey: VSZXRCFRPKQOJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.317232
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1884594
• LogD (pH = 7.4): -2.250873
• Log P: 0.008689287
• Molar Refractivity: 94.422 cm^3
• Polarizability: 36.86972 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -3.06
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7