2-(2-methoxyethyl)-8-[(1-methyl-1H-indol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 478978
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1cc3n(ccc3cc1)C)CCC2)CCOC
• Canonical SMILES: COCCN1CC2(CCCN(C2)Cc2ccc3c(c2)n(C)cc3)CCC1=O
• InChI: InChI=1S/C22H31N3O2/c1-23-11-7-19-5-4-18(14-20(19)23)15-24-10-3-8-22(16-24)9-6-21(26)25(17-22)12-13-27-2/h4-5,7,11,14H,3,6,8-10,12-13,15-17H2,1-2H3
• InChIKey: VQZWBMAWXCPRMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-[(1-methyl-1H-indol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-[(1-methylindol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-[(1-methyl-1H-indol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.96698755
• LogD (pH = 7.4): 0.62953544
• Log P: 2.230556
• Molar Refractivity: 108.6355 cm^3
• Polarizability: 43.215046 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: 2.41
• LOG S: -3.95
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 5