8-[(1,5-dimethyl-1H-indol-2-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 373002
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: c1(n(c2c(c1)cc(cc2)C)C)CN1CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)Cc2cc3c(n2C)ccc(c3)C)CCC1=O
• InChI: InChI=1S/C23H33N3O2/c1-18-5-6-21-19(13-18)14-20(24(21)2)15-25-10-4-8-23(16-25)9-7-22(27)26(17-23)11-12-28-3/h5-6,13-14H,4,7-12,15-17H2,1-3H3
• InChIKey: BWEUCGMZZRKBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1,5-dimethyl-1H-indol-2-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[(1,5-dimethylindol-2-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(1,5-dimethyl-1H-indol-2-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4244543
• LogD (pH = 7.4): 1.2502642
• Log P: 2.6639783
• Molar Refractivity: 113.5542 cm^3
• Polarizability: 44.98112 Å^3
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.87
• LOG S: -4.45
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 5