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

• ChemBase ID: 698089
• Molecular Formular: C30H34N4O2
• Molecular Mass: 482.61656
• Monoisotopic Mass: 482.26817635
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCc1ccccc1)Cc1ccccc1)CCCc1cnccc1
• Canonical SMILES: O=C1N(CCCc2cccnc2)C(=O)C2(N1Cc1ccccc1)CCN(CC2)CCc1ccccc1
• InChI: InChI=1S/C30H34N4O2/c35-28-30(16-21-32(22-17-30)20-15-25-9-3-1-4-10-25)34(24-27-11-5-2-6-12-27)29(36)33(28)19-8-14-26-13-7-18-31-23-26/h1-7,9-13,18,23H,8,14-17,19-22,24H2
• InChIKey: OEXBEDIYBDSZEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8771007
• LogD (pH = 7.4): 2.4973485
• Log P: 4.229723
• Molar Refractivity: 142.1223 cm^3
• Polarizability: 54.97693 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.71
• LOG S: -5.62
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 9