1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione

• ChemBase ID: 700698
• Molecular Formular: C23H32N2O2
• Molecular Mass: 368.51238
• Monoisotopic Mass: 368.24637827
• SMILES: N1(C(=O)C(=O)c2ccccc2)CC2(CN(CC3CCCCC3)CCC2)CC1
• Canonical SMILES: O=C(C(=O)c1ccccc1)N1CCC2(C1)CCCN(C2)CC1CCCCC1
• InChI: InChI=1S/C23H32N2O2/c26-21(20-10-5-2-6-11-20)22(27)25-15-13-23(18-25)12-7-14-24(17-23)16-19-8-3-1-4-9-19/h2,5-6,10-11,19H,1,3-4,7-9,12-18H2
• InChIKey: AIVCXMYHGBHWFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
• IUPAC Traditional name: 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
• Synonyms: 2-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]-2-oxo-1-phenylethanone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4306667
• LogD (pH = 7.4): 1.7788489
• Log P: 3.7929626
• Molar Refractivity: 108.3979 cm^3
• Polarizability: 42.23436 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.1
• LOG S: -3.54
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4