2-(3-phenylpropyl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 554628
• Molecular Formular: C22H26N2O2S
• Molecular Mass: 382.51904
• Monoisotopic Mass: 382.17149908
• SMILES: C(=O)(c1cscc1)N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)C(=O)c1cscc1
• InChI: InChI=1S/C22H26N2O2S/c25-20-15-22(17-24(20)11-4-7-18-5-2-1-3-6-18)9-12-23(13-10-22)21(26)19-8-14-27-16-19/h1-3,5-6,8,14,16H,4,7,9-13,15,17H2
• InChIKey: KUIGQZIPQYJNBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-phenylpropyl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-phenylpropyl)-8-(3-thienylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9493573
• LogD (pH = 7.4): 2.9493577
• Log P: 2.9493577
• Molar Refractivity: 108.5653 cm^3
• Polarizability: 41.426224 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.15
• LOG S: -4.68
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5