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

• ChemBase ID: 363232
• Molecular Formular: C27H27ClN4O2
• Molecular Mass: 474.98188
• Monoisotopic Mass: 474.1822538
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(Cl)cc1)Cc1ccccc1)Cc1ncccc1
• Canonical SMILES: Clc1ccc(cc1)CN1CCC2(CC1)N(Cc1ccccc1)C(=O)N(C2=O)Cc1ccccn1
• InChI: InChI=1S/C27H27ClN4O2/c28-23-11-9-22(10-12-23)18-30-16-13-27(14-17-30)25(33)31(20-24-8-4-5-15-29-24)26(34)32(27)19-21-6-2-1-3-7-21/h1-12,15H,13-14,16-20H2
• InChIKey: NNFFDPPYERUBQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-[(4-chlorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-[(4-chlorophenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-(4-chlorobenzyl)-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): 1.4021858
• LogD (pH = 7.4): 3.1839833
• Log P: 3.8933485
• Molar Refractivity: 132.2939 cm^3
• Polarizability: 51.373165 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.48
• LOG S: -5.12
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6