2-[(4-chlorophenyl)methyl]-8-{spiro[2.3]hexane-1-carbonyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 405332
• Molecular Formular: C22H27ClN2O2
• Molecular Mass: 386.91498
• Monoisotopic Mass: 386.17610579
• SMILES: C1(C2(C1)CCC2)C(=O)N1CCC2(CN(C(=O)C2)Cc2ccc(Cl)cc2)CC1
• Canonical SMILES: Clc1ccc(cc1)CN1CC2(CC1=O)CCN(CC2)C(=O)C1CC21CCC2
• InChI: InChI=1S/C22H27ClN2O2/c23-17-4-2-16(3-5-17)14-25-15-21(13-19(25)26)8-10-24(11-9-21)20(27)18-12-22(18)6-1-7-22/h2-5,18H,1,6-15H2
• InChIKey: LAQBDBRIIQSSMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chlorophenyl)methyl]-8-{spiro[2.3]hexane-1-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(4-chlorophenyl)methyl]-8-{spiro[2.3]hexane-1-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(4-chlorobenzyl)-8-(spiro[2.3]hex-1-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.53326
• LogD (pH = 7.4): 2.5332615
• Log P: 2.5332615
• Molar Refractivity: 105.4595 cm^3
• Polarizability: 41.163868 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.26
• LOG S: -4.8
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3