7-[(4-fluorophenyl)methyl]-2-(2-methylbenzoyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 313834
• Molecular Formular: C23H27FN2O
• Molecular Mass: 366.4716832
• Monoisotopic Mass: 366.21074171
• SMILES: N1(C(=O)c2c(C)cccc2)CC2(CN(Cc3ccc(F)cc3)CCC2)CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)C(=O)c1ccccc1C
• InChI: InChI=1S/C23H27FN2O/c1-18-5-2-3-6-21(18)22(27)26-14-12-23(17-26)11-4-13-25(16-23)15-19-7-9-20(24)10-8-19/h2-3,5-10H,4,11-17H2,1H3
• InChIKey: RMIPUXCUONNIQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-(2-methylbenzoyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-(2-methylbenzoyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(4-fluorobenzyl)-2-(2-methylbenzoyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5365533
• LogD (pH = 7.4): 3.3104558
• Log P: 4.199617
• Molar Refractivity: 107.5816 cm^3
• Polarizability: 40.808487 Å^3
• Polar Surface Area: 23.55 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: 4.17
• LOG S: -5.07
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3