2-benzyl-8-(2,3-dihydro-1H-indene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 511313
• Molecular Formular: C25H28N2O2
• Molecular Mass: 388.50202
• Monoisotopic Mass: 388.21507815
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)C1c3c(CC1)cccc3)CC2)Cc1ccccc1
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)C(=O)C1CCc2c1cccc2
• InChI: InChI=1S/C25H28N2O2/c28-23-16-25(18-27(23)17-19-6-2-1-3-7-19)12-14-26(15-13-25)24(29)22-11-10-20-8-4-5-9-21(20)22/h1-9,22H,10-18H2
• InChIKey: UOTABRXQUZAYDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(2,3-dihydro-1H-indene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(2,3-dihydro-1H-indene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(2,3-dihydro-1H-inden-1-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0085328
• LogD (pH = 7.4): 3.0085332
• Log P: 3.0085332
• Molar Refractivity: 113.9684 cm^3
• Polarizability: 44.092422 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: 3.58
• LOG S: -5.09
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3