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

• ChemBase ID: 320283
• Molecular Formular: C28H28F2N4O2
• Molecular Mass: 490.5443264
• Monoisotopic Mass: 490.2180326
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(cc(cc1)F)F)CC2)CCc1ccccc1)Cc1ncccc1
• Canonical SMILES: Fc1ccc(c(c1)F)CN1CCC2(CC1)N(CCc1ccccc1)C(=O)N(C2=O)Cc1ccccn1
• InChI: InChI=1S/C28H28F2N4O2/c29-23-10-9-22(25(30)18-23)19-32-16-12-28(13-17-32)26(35)33(20-24-8-4-5-14-31-24)27(36)34(28)15-11-21-6-2-1-3-7-21/h1-10,14,18H,11-13,15-17,19-20H2
• InChIKey: PHAXBIITENJBAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2,4-difluorophenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(2,4-difluorophenyl)methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,4-difluorobenzyl)-1-(2-phenylethyl)-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): 1.9205524
• LogD (pH = 7.4): 3.5458465
• Log P: 3.8633687
• Molar Refractivity: 132.6769 cm^3
• Polarizability: 50.686913 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: 3.48
• LOG S: -5.78
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7