1-ethyl-8-(4-phenoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 526875
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: N1C(=O)N(C2(C1=O)CCN(C(=O)CCCOc1ccccc1)CC2)CC
• Canonical SMILES: CCN1C(=O)NC(=O)C21CCN(CC2)C(=O)CCCOc1ccccc1
• InChI: InChI=1S/C19H25N3O4/c1-2-22-18(25)20-17(24)19(22)10-12-21(13-11-19)16(23)9-6-14-26-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,24,25)
• InChIKey: JWXACZYCBQVPNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-8-(4-phenoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-ethyl-8-(4-phenoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-ethyl-8-(4-phenoxybutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.453819
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.65468377
• LogD (pH = 7.4): 0.6543096
• Log P: 0.65468866
• Molar Refractivity: 95.87 cm^3
• Polarizability: 37.154545 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.94
• LOG S: -3.48
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6