1-(2-methoxyethyl)-8-(2-phenylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 350472
• Molecular Formular: C27H36N4O3
• Molecular Mass: 464.59974
• Monoisotopic Mass: 464.27874103
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC(c1ccccc1)C)CC2)CCOC)CCCc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)CC(c1ccccc1)C)CCCc1cccnc1
• InChI: InChI=1S/C27H36N4O3/c1-22(24-10-4-3-5-11-24)21-29-16-12-27(13-17-29)25(32)30(26(33)31(27)18-19-34-2)15-7-9-23-8-6-14-28-20-23/h3-6,8,10-11,14,20,22H,7,9,12-13,15-19,21H2,1-2H3
• InChIKey: HLEWTFZJNDGGLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-8-(2-phenylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-(2-methoxyethyl)-8-(2-phenylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-(2-methoxyethyl)-8-(2-phenylpropyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.63013315
• LogD (pH = 7.4): 0.81257737
• Log P: 2.8232472
• Molar Refractivity: 133.0248 cm^3
• Polarizability: 51.58839 Å^3
• Polar Surface Area: 65.98 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 9
• H Acceptors: 5
• H Donor: 0
• Log P: 2.62
• LOG S: -4.29
• Polar Surface Area: 65.98 Å^2