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

• ChemBase ID: 659645
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: N1(C(=O)NC2(C1=O)CCNCC2)CCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CCN1C(=O)NC2(C1=O)CCNCC2
• InChI: InChI=1S/C17H23N3O3/c1-2-23-14-5-3-13(4-6-14)7-12-20-15(21)17(19-16(20)22)8-10-18-11-9-17/h3-6,18H,2,7-12H2,1H3,(H,19,22)
• InChIKey: AGNAOJRHOVSUQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.374963
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3616943
• LogD (pH = 7.4): -1.6642534
• Log P: 0.6248407
• Molar Refractivity: 86.7184 cm^3
• Polarizability: 33.758526 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.0
• LOG S: -3.22
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5