1-benzyl-8-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 351697
• Molecular Formular: C29H32N4O2
• Molecular Mass: 468.58998
• Monoisotopic Mass: 468.25252628
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCCc1ccccc1)Cc1ccccc1)Cc1ncccc1
• Canonical SMILES: O=C1N(Cc2ccccn2)C(=O)C2(N1Cc1ccccc1)CCN(CC2)CCCc1ccccc1
• InChI: InChI=1S/C29H32N4O2/c34-27-29(16-20-31(21-17-29)19-9-14-24-10-3-1-4-11-24)33(22-25-12-5-2-6-13-25)28(35)32(27)23-26-15-7-8-18-30-26/h1-8,10-13,15,18H,9,14,16-17,19-23H2
• InChIKey: QLLHKYCZBXKOGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-(3-phenylpropyl)-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.66075927
• LogD (pH = 7.4): 2.0668132
• Log P: 4.0225334
• Molar Refractivity: 136.8451 cm^3
• Polarizability: 53.13229 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.28
• LOG S: -5.36
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 8