3-benzyl-8-[1-(2-fluorophenyl)propan-2-yl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 323254
• Molecular Formular: C27H34FN3O3
• Molecular Mass: 467.5755632
• Monoisotopic Mass: 467.25842018
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C(Cc1c(F)cccc1)C)CC2)CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C(Cc1ccccc1F)C)Cc1ccccc1
• InChI: InChI=1S/C27H34FN3O3/c1-21(19-23-11-6-7-12-24(23)28)29-16-13-27(14-17-29)25(32)30(20-22-9-4-3-5-10-22)26(33)31(27)15-8-18-34-2/h3-7,9-12,21H,8,13-20H2,1-2H3
• InChIKey: VMUZFYHBZDMWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-8-[1-(2-fluorophenyl)propan-2-yl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-8-[1-(2-fluorophenyl)propan-2-yl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-8-[2-(2-fluorophenyl)-1-methylethyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.50029564
• LogD (pH = 7.4): 2.1890469
• Log P: 3.5619535
• Molar Refractivity: 130.8547 cm^3
• Polarizability: 50.304432 Å^3
• Polar Surface Area: 53.09 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: 3.56
• LOG S: -4.34
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8