8-(1H-indole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 760754
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: C1(=O)NC2(CC1c1ccccc1)CCN(C(=O)c1cc3c([nH]cc3)cc1)CC2
• Canonical SMILES: O=C1NC2(CC1c1ccccc1)CCN(CC2)C(=O)c1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C23H23N3O2/c27-21-19(16-4-2-1-3-5-16)15-23(25-21)9-12-26(13-10-23)22(28)18-6-7-20-17(14-18)8-11-24-20/h1-8,11,14,19,24H,9-10,12-13,15H2,(H,25,27)
• InChIKey: RZFCHLXBVAOYNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1H-indole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(1H-indole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(1H-indol-5-ylcarbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.10511
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2275863
• LogD (pH = 7.4): 2.2275865
• Log P: 2.2275865
• Molar Refractivity: 108.2963 cm^3
• Polarizability: 42.450592 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 0.86
• LOG S: -2.66
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 2