N-(4-{[3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl}phenyl)acetamide

• ChemBase ID: 651024
• Molecular Formular: C27H32N4O3
• Molecular Mass: 460.56798
• Monoisotopic Mass: 460.2474409
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(NC(=O)C)cc1)CC)C1Cc2c(C1)cccc2
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(cc1)NC(=O)C)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C27H32N4O3/c1-3-30-26(34)31(24-16-21-6-4-5-7-22(21)17-24)25(33)27(30)12-14-29(15-13-27)18-20-8-10-23(11-9-20)28-19(2)32/h4-11,24H,3,12-18H2,1-2H3,(H,28,32)
• InChIKey: TXKPNXTUMAVDCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl}phenyl)acetamide
• Synonyms: N-(4-{[3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355079
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.24335238
• LogD (pH = 7.4): 1.4955306
• Log P: 2.6838663
• Molar Refractivity: 132.902 cm^3
• Polarizability: 50.49318 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.27
• LOG S: -5.65
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 4