8-[(2-chlorophenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 376887
• Molecular Formular: C21H23ClN2O
• Molecular Mass: 354.87312
• Monoisotopic Mass: 354.14989105
• SMILES: C1(=O)NC2(CC1c1ccccc1)CCN(Cc1c(Cl)cccc1)CC2
• Canonical SMILES: O=C1NC2(CC1c1ccccc1)CCN(CC2)Cc1ccccc1Cl
• InChI: InChI=1S/C21H23ClN2O/c22-19-9-5-4-8-17(19)15-24-12-10-21(11-13-24)14-18(20(25)23-21)16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,25)
• InChIKey: LSSBYPMITHOWEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-chlorophenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(2-chlorophenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2-chlorobenzyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.654933
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9927444
• LogD (pH = 7.4): 2.7450542
• Log P: 3.3762736
• Molar Refractivity: 101.6855 cm^3
• Polarizability: 39.63719 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.85
• LOG S: -4.22
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3