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

• ChemBase ID: 866316
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccncc1)Cc1ccccc1)C
• Canonical SMILES: O=C1N(C)C(=O)C2(N1Cc1ccccc1)CCN(CC2)Cc1ccncc1
• InChI: InChI=1S/C21H24N4O2/c1-23-19(26)21(25(20(23)27)16-17-5-3-2-4-6-17)9-13-24(14-10-21)15-18-7-11-22-12-8-18/h2-8,11-12H,9-10,13-16H2,1H3
• InChIKey: DYDFTPOAMXICMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2377948
• LogD (pH = 7.4): 0.53645766
• Log P: 1.4833587
• Molar Refractivity: 103.3987 cm^3
• Polarizability: 39.91888 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -2.22
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4