8-[(2,4-difluorophenyl)methyl]-1-(3-methylbutyl)-3-[3-(pyridin-4-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 323737
• Molecular Formular: C27H34F2N4O2
• Molecular Mass: 484.5812664
• Monoisotopic Mass: 484.26498279
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(cc(cc1)F)F)CC2)CCC(C)C)CCCc1ccncc1
• Canonical SMILES: CC(CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(cc1F)F)CCCc1ccncc1)C
• InChI: InChI=1S/C27H34F2N4O2/c1-20(2)9-15-33-26(35)32(14-3-4-21-7-12-30-13-8-21)25(34)27(33)10-16-31(17-11-27)19-22-5-6-23(28)18-24(22)29/h5-8,12-13,18,20H,3-4,9-11,14-17,19H2,1-2H3
• InChIKey: VGVUSIKIVFBDDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2,4-difluorophenyl)methyl]-1-(3-methylbutyl)-3-[3-(pyridin-4-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(2,4-difluorophenyl)methyl]-1-(3-methylbutyl)-3-[3-(pyridin-4-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,4-difluorobenzyl)-1-(3-methylbutyl)-3-[3-(4-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): 2.070478
• LogD (pH = 7.4): 3.7938643
• Log P: 4.1129107
• Molar Refractivity: 131.6097 cm^3
• Polarizability: 50.312172 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: 4.08
• LOG S: -5.68
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 8