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

• ChemBase ID: 438336
• Molecular Formular: C28H30N4O2
• Molecular Mass: 454.5634
• Monoisotopic Mass: 454.23687622
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ncccc1)CCc1ccccc1)Cc1ccccc1
• Canonical SMILES: O=C1N(Cc2ccccc2)C(=O)C2(N1CCc1ccccc1)CCN(CC2)Cc1ccccn1
• InChI: InChI=1S/C28H30N4O2/c33-26-28(15-19-30(20-16-28)22-25-13-7-8-17-29-25)32(18-14-23-9-3-1-4-10-23)27(34)31(26)21-24-11-5-2-6-12-24/h1-13,17H,14-16,18-22H2
• InChIKey: BOFYERXGCOEJRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-1-(2-phenylethyl)-8-(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): 1.6550562
• LogD (pH = 7.4): 3.261905
• Log P: 3.577965
• Molar Refractivity: 132.2441 cm^3
• Polarizability: 51.365013 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.19
• LOG S: -4.8
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7