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

• ChemBase ID: 841250
• Molecular Formular: C26H34N4O2
• Molecular Mass: 434.57376
• Monoisotopic Mass: 434.26817635
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC(C)C)Cc1ccccc1)CCCc1cnccc1
• Canonical SMILES: CC(CN1CCC2(CC1)C(=O)N(C(=O)N2Cc1ccccc1)CCCc1cccnc1)C
• InChI: InChI=1S/C26H34N4O2/c1-21(2)19-28-16-12-26(13-17-28)24(31)29(15-7-11-22-10-6-14-27-18-22)25(32)30(26)20-23-8-4-3-5-9-23/h3-6,8-10,14,18,21H,7,11-13,15-17,19-20H2,1-2H3
• InChIKey: GPLGEQSXXOCJSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-isobutyl-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): -0.022050565
• LogD (pH = 7.4): 1.3373846
• Log P: 3.4608917
• Molar Refractivity: 126.4989 cm^3
• Polarizability: 49.132423 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: 3.24
• LOG S: -4.4
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7