8-(cyclohex-3-ene-1-carbonyl)-2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 785751
• Molecular Formular: C22H26F2N2O2
• Molecular Mass: 388.4508464
• Monoisotopic Mass: 388.19623452
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)C1CC=CCC1)CC2)Cc1cc(c(cc1)F)F
• Canonical SMILES: O=C1CC2(CN1Cc1ccc(c(c1)F)F)CCN(CC2)C(=O)C1CCC=CC1
• InChI: InChI=1S/C22H26F2N2O2/c23-18-7-6-16(12-19(18)24)14-26-15-22(13-20(26)27)8-10-25(11-9-22)21(28)17-4-2-1-3-5-17/h1-2,6-7,12,17H,3-5,8-11,13-15H2
• InChIKey: WPXGCEFXTVTDCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclohex-3-ene-1-carbonyl)-2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(cyclohex-3-ene-1-carbonyl)-2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-cyclohexen-1-ylcarbonyl)-2-(3,4-difluorobenzyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6184945
• LogD (pH = 7.4): 2.618496
• Log P: 2.618496
• Molar Refractivity: 104.1846 cm^3
• Polarizability: 39.146248 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: 3.11
• LOG S: -4.69
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3